 Entering Gaussian System, Link 0=g16
 Input=09_L-alanine_conformer03_STD_LCPBE_augccpVDZ.in
 Output=09_L-alanine_conformer03_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-27158.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     27173.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=09_L-alanine_conformer03_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=036500000
 0,3/108=0365000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=365000000,108=365000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:15:27 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "09_L-alanine_conformer03_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.234360000000      1.227627000000      0.493636000000
  C                                                -0.619746000000      0.176499000000     -0.427789000000
  C                                                 0.874662000000      0.040013000000     -0.091045000000
  O                                                 1.684560000000      0.876942000000     -0.381380000000
  N                                                -1.288697000000     -1.120012000000     -0.254191000000
  O                                                 1.182025000000     -1.074891000000      0.583386000000
  H                                                -0.668029000000      0.537376000000     -1.458500000000
  H                                                -2.272687000000      1.417776000000      0.215233000000
  H                                                -1.207375000000      0.889403000000      1.531687000000
  H                                                -0.678004000000      2.159964000000      0.419739000000
  H                                                -2.241749000000     -1.012991000000      0.067124000000
  H                                                -1.305328000000     -1.656641000000     -1.112376000000
  H                                                 0.338033000000     -1.576061000000      0.651570000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     13 NQM=       13 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          14          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           2           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Mon Aug 16 21:15:27 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.234360    1.227627    0.493636
      2          6           0       -0.619746    0.176499   -0.427789
      3          6           0        0.874662    0.040013   -0.091045
      4          8           0        1.684560    0.876942   -0.381380
      5          7           0       -1.288697   -1.120012   -0.254191
      6          8           0        1.182025   -1.074891    0.583386
      7          1           0       -0.668029    0.537376   -1.458500
      8          1           0       -2.272687    1.417776    0.215233
      9          1           0       -1.207375    0.889403    1.531687
     10          1           0       -0.678004    2.159964    0.419739
     11          1           0       -2.241749   -1.012991    0.067124
     12          1           0       -1.305328   -1.656641   -1.112376
     13          1           0        0.338033   -1.576061    0.651570
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526972   0.000000
     3  C    2.490031   1.537947   0.000000
     4  O    3.067365   2.408859   1.200283   0.000000
     5  N    2.464469   1.469208   2.460162   3.583889   0.000000
     6  O    3.338946   2.415539   1.338783   2.234495   2.609222
     7  H    2.146628   1.093128   2.120660   2.609630   2.140683
     8  H    1.091690   2.164823   3.449325   4.038348   2.762058
     9  H    1.092096   2.166353   2.773013   3.467459   2.689558
    10  H    1.088230   2.157737   2.676913   2.805289   3.403729
    11  H    2.493414   2.071405   3.293304   4.380514   1.011437
    12  H    3.302016   2.073423   2.945184   3.986581   1.012289
    13  H    3.218389   2.270203   1.857725   2.982842   1.916934
                    6          7          8          9         10
     6  O    0.000000
     7  H    3.192398   0.000000
     8  H    4.275975   2.480204   0.000000
     9  H    3.235268   3.058764   1.774012   0.000000
    10  H    3.735074   2.482070   1.770785   1.769460   0.000000
    11  H    3.463031   2.684727   2.435472   2.614188   3.554895
    12  H    3.066100   2.310771   3.485738   3.671921   4.160215
    13  H    0.983943   3.151376   3.996162   3.039968   3.878654
                   11         12         13
    11  H    0.000000
    12  H    1.637800   0.000000
    13  H    2.704422   2.412184   0.000000
 Stoichiometry    C3H7NO2
 Framework group  C1[X(C3H7NO2)]
 Deg. of freedom    33
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.61D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.234360    1.227627    0.493636
      2          6           0       -0.619746    0.176499   -0.427789
      3          6           0        0.874662    0.040013   -0.091045
      4          8           0        1.684560    0.876942   -0.381380
      5          7           0       -1.288697   -1.120012   -0.254191
      6          8           0        1.182025   -1.074891    0.583386
      7          1           0       -0.668029    0.537376   -1.458500
      8          1           0       -2.272687    1.417776    0.215233
      9          1           0       -1.207375    0.889403    1.531687
     10          1           0       -0.678004    2.159964    0.419739
     11          1           0       -2.241749   -1.012991    0.067124
     12          1           0       -1.305328   -1.656641   -1.112376
     13          1           0        0.338033   -1.576061    0.651570
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.9962844           3.2162425           2.3194998
 Leave Link  202 at Mon Aug 16 21:15:27 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     12     13
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      6
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  18 primitive shells out of 224 were deleted.
 There are   213 symmetry adapted cartesian basis functions of A   symmetry.
 There are   201 symmetry adapted basis functions of A   symmetry.
   201 basis functions,   366 primitive gaussians,   213 cartesian basis functions
    24 alpha electrons       24 beta electrons
       nuclear repulsion energy       250.8298141574 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.365000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.365000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   13 NActive=   13 NUniq=   13 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:15:30 2021, MaxMem=  5637144576 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   201 RedAO= T EigKep=  2.16D-05  NBF=   201
 NBsUse=   201 1.00D-06 EigRej= -1.00D+00 NBFU=   201
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   213   213   213   213   213 MxSgAt=    13 MxSgA2=    13.
 Leave Link  302 at Mon Aug 16 21:15:31 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:15:31 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "09_L-alanine_conformer03_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:15:32 2021, MaxMem=  5637144576 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5637049991 LenY=  5637004181
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -322.866643259687    
 DIIS: error= 3.08D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -322.866643259687     IErMin= 1 ErrMin= 3.08D-03
 ErrMax= 3.08D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.67D-03 BMatP= 8.67D-03
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.08D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.455 Goal=   None    Shift=    0.000
 GapD=    0.455 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.73D-03 MaxDP=1.87D-01              OVMax= 1.70D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.72D-03    CP:  9.82D-01
 E= -322.874044730206     Delta-E=       -0.007401470520 Rises=F Damp=F
 DIIS: error= 1.53D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -322.874044730206     IErMin= 2 ErrMin= 1.53D-03
 ErrMax= 1.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-03 BMatP= 8.67D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.53D-02
 Coeff-Com:  0.141D+00 0.859D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.139D+00 0.861D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=9.22D-04 MaxDP=3.46D-02 DE=-7.40D-03 OVMax= 1.10D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.21D-04    CP:  9.79D-01  1.10D+00
 E= -322.874439232375     Delta-E=       -0.000394502169 Rises=F Damp=F
 DIIS: error= 1.23D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -322.874439232375     IErMin= 3 ErrMin= 1.23D-03
 ErrMax= 1.23D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.47D-04 BMatP= 1.15D-03
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.23D-02
 Coeff-Com: -0.449D-01 0.464D+00 0.581D+00
 Coeff-En:   0.000D+00 0.351D+00 0.649D+00
 Coeff:     -0.444D-01 0.463D+00 0.582D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=3.65D-04 MaxDP=1.44D-02 DE=-3.95D-04 OVMax= 4.94D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.23D-04    CP:  9.79D-01  1.14D+00  1.02D+00
 E= -322.875030185372     Delta-E=       -0.000590952997 Rises=F Damp=F
 DIIS: error= 1.29D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -322.875030185372     IErMin= 4 ErrMin= 1.29D-04
 ErrMax= 1.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-05 BMatP= 8.47D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.29D-03
 Coeff-Com: -0.153D-01 0.753D-01 0.139D+00 0.801D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.152D-01 0.752D-01 0.139D+00 0.801D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=9.53D-05 MaxDP=4.24D-03 DE=-5.91D-04 OVMax= 1.23D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.66D-05    CP:  9.78D-01  1.15D+00  1.13D+00  1.11D+00
 E= -322.875039752880     Delta-E=       -0.000009567508 Rises=F Damp=F
 DIIS: error= 7.87D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -322.875039752880     IErMin= 5 ErrMin= 7.87D-05
 ErrMax= 7.87D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.28D-06 BMatP= 1.15D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.143D-02-0.540D-01-0.446D-01 0.429D+00 0.668D+00
 Coeff:      0.143D-02-0.540D-01-0.446D-01 0.429D+00 0.668D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=4.15D-05 MaxDP=2.00D-03 DE=-9.57D-06 OVMax= 7.17D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.05D-05    CP:  9.78D-01  1.15D+00  1.16D+00  1.19D+00  1.09D+00
 E= -322.875044320199     Delta-E=       -0.000004567318 Rises=F Damp=F
 DIIS: error= 1.65D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -322.875044320199     IErMin= 6 ErrMin= 1.65D-05
 ErrMax= 1.65D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-07 BMatP= 5.28D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.191D-02-0.251D-01-0.278D-01 0.835D-01 0.233D+00 0.734D+00
 Coeff:      0.191D-02-0.251D-01-0.278D-01 0.835D-01 0.233D+00 0.734D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=8.00D-06 MaxDP=2.91D-04 DE=-4.57D-06 OVMax= 1.64D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.41D-06    CP:  9.78D-01  1.15D+00  1.17D+00  1.20D+00  1.14D+00
                    CP:  1.14D+00
 E= -322.875044565747     Delta-E=       -0.000000245549 Rises=F Damp=F
 DIIS: error= 4.81D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -322.875044565747     IErMin= 7 ErrMin= 4.81D-06
 ErrMax= 4.81D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-08 BMatP= 2.22D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.289D-03 0.532D-03-0.138D-02-0.340D-01-0.205D-01 0.205D+00
 Coeff-Com:  0.850D+00
 Coeff:      0.289D-03 0.532D-03-0.138D-02-0.340D-01-0.205D-01 0.205D+00
 Coeff:      0.850D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=2.89D-06 MaxDP=7.74D-05 DE=-2.46D-07 OVMax= 7.96D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.99D-06    CP:  9.78D-01  1.15D+00  1.17D+00  1.20D+00  1.16D+00
                    CP:  1.20D+00  1.06D+00
 E= -322.875044598195     Delta-E=       -0.000000032448 Rises=F Damp=F
 DIIS: error= 2.05D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -322.875044598195     IErMin= 8 ErrMin= 2.05D-06
 ErrMax= 2.05D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.28D-09 BMatP= 2.03D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.100D-03 0.256D-02 0.237D-02-0.185D-01-0.280D-01-0.112D-01
 Coeff-Com:  0.252D+00 0.801D+00
 Coeff:     -0.100D-03 0.256D-02 0.237D-02-0.185D-01-0.280D-01-0.112D-01
 Coeff:      0.252D+00 0.801D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=9.41D-07 MaxDP=2.53D-05 DE=-3.24D-08 OVMax= 2.77D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.10D-07    CP:  9.78D-01  1.15D+00  1.17D+00  1.20D+00  1.17D+00
                    CP:  1.21D+00  1.11D+00  1.18D+00
 E= -322.875044601660     Delta-E=       -0.000000003464 Rises=F Damp=F
 DIIS: error= 5.83D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -322.875044601660     IErMin= 9 ErrMin= 5.83D-07
 ErrMax= 5.83D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.51D-10 BMatP= 2.28D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.529D-04 0.624D-03 0.804D-03-0.171D-02-0.549D-02-0.290D-01
 Coeff-Com: -0.274D-01 0.230D+00 0.832D+00
 Coeff:     -0.529D-04 0.624D-03 0.804D-03-0.171D-02-0.549D-02-0.290D-01
 Coeff:     -0.274D-01 0.230D+00 0.832D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=3.32D-07 MaxDP=1.31D-05 DE=-3.46D-09 OVMax= 1.10D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.64D-07    CP:  9.78D-01  1.15D+00  1.17D+00  1.20D+00  1.17D+00
                    CP:  1.20D+00  1.12D+00  1.28D+00  1.12D+00
 E= -322.875044602109     Delta-E=       -0.000000000450 Rises=F Damp=F
 DIIS: error= 1.42D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -322.875044602109     IErMin=10 ErrMin= 1.42D-07
 ErrMax= 1.42D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-11 BMatP= 2.51D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.383D-05-0.191D-03-0.136D-03 0.181D-02 0.271D-02-0.272D-02
 Coeff-Com: -0.287D-01-0.557D-01 0.106D+00 0.977D+00
 Coeff:      0.383D-05-0.191D-03-0.136D-03 0.181D-02 0.271D-02-0.272D-02
 Coeff:     -0.287D-01-0.557D-01 0.106D+00 0.977D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=1.12D-07 MaxDP=4.35D-06 DE=-4.50D-10 OVMax= 3.71D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.28D-08    CP:  9.78D-01  1.15D+00  1.17D+00  1.20D+00  1.17D+00
                    CP:  1.20D+00  1.12D+00  1.31D+00  1.20D+00  1.11D+00
 E= -322.875044602148     Delta-E=       -0.000000000039 Rises=F Damp=F
 DIIS: error= 5.08D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -322.875044602148     IErMin=11 ErrMin= 5.08D-08
 ErrMax= 5.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-12 BMatP= 1.72D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.424D-05-0.834D-04-0.873D-04 0.456D-03 0.961D-03 0.141D-02
 Coeff-Com: -0.389D-02-0.273D-01-0.396D-01 0.173D+00 0.895D+00
 Coeff:      0.424D-05-0.834D-04-0.873D-04 0.456D-03 0.961D-03 0.141D-02
 Coeff:     -0.389D-02-0.273D-01-0.396D-01 0.173D+00 0.895D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=2.48D-08 MaxDP=5.85D-07 DE=-3.87D-11 OVMax= 1.03D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.73D-08    CP:  9.78D-01  1.15D+00  1.17D+00  1.20D+00  1.17D+00
                    CP:  1.20D+00  1.12D+00  1.30D+00  1.20D+00  1.18D+00
                    CP:  1.15D+00
 E= -322.875044602155     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 1.37D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -322.875044602155     IErMin=12 ErrMin= 1.37D-08
 ErrMax= 1.37D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.49D-13 BMatP= 1.41D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.625D-06 0.630D-05-0.239D-05-0.123D-03-0.112D-03 0.524D-03
 Coeff-Com:  0.238D-02 0.218D-02-0.175D-01-0.849D-01 0.119D+00 0.979D+00
 Coeff:      0.625D-06 0.630D-05-0.239D-05-0.123D-03-0.112D-03 0.524D-03
 Coeff:      0.238D-02 0.218D-02-0.175D-01-0.849D-01 0.119D+00 0.979D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=1.28D-08 MaxDP=5.60D-07 DE=-7.16D-12 OVMax= 4.41D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.68D-09    CP:  9.78D-01  1.15D+00  1.17D+00  1.20D+00  1.17D+00
                    CP:  1.20D+00  1.12D+00  1.30D+00  1.20D+00  1.18D+00
                    CP:  1.26D+00  1.24D+00
 E= -322.875044602157     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 5.43D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -322.875044602157     IErMin=13 ErrMin= 5.43D-09
 ErrMax= 5.43D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-14 BMatP= 1.49D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.355D-06 0.824D-05 0.749D-05-0.578D-04-0.975D-04-0.551D-04
 Coeff-Com:  0.656D-03 0.286D-02 0.719D-03-0.275D-01-0.585D-01 0.169D+00
 Coeff-Com:  0.913D+00
 Coeff:     -0.355D-06 0.824D-05 0.749D-05-0.578D-04-0.975D-04-0.551D-04
 Coeff:      0.656D-03 0.286D-02 0.719D-03-0.275D-01-0.585D-01 0.169D+00
 Coeff:      0.913D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=3.93D-09 MaxDP=1.97D-07 DE=-1.71D-12 OVMax= 1.22D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -322.875044602     A.U. after   13 cycles
            NFock= 13  Conv=0.39D-08     -V/T= 2.0053
 KE= 3.211804334743D+02 PE=-1.258331689255D+03 EE= 3.634463970211D+02
 Leave Link  502 at Mon Aug 16 21:16:40 2021, MaxMem=  5637144576 cpu:             541.2 elap:              68.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   201
 NBasis=   201 NAE=    24 NBE=    24 NFC=     0 NFV=     0
 NROrb=    201 NOA=    24 NOB=    24 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.45652435D+02

 Leave Link  801 at Mon Aug 16 21:16:40 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4015 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          13
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.08D-14 8.33D-09 XBig12= 1.00D+00 2.46D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.08D-14 8.33D-09 XBig12= 1.54D-01 5.78D-02.
     11 vectors produced by pass  2 Test12= 7.08D-14 8.33D-09 XBig12= 2.28D-02 3.26D-02.
     11 vectors produced by pass  3 Test12= 7.08D-14 8.33D-09 XBig12= 1.53D-03 7.23D-03.
     11 vectors produced by pass  4 Test12= 7.08D-14 8.33D-09 XBig12= 5.50D-05 1.53D-03.
     11 vectors produced by pass  5 Test12= 7.08D-14 8.33D-09 XBig12= 1.53D-06 2.36D-04.
     11 vectors produced by pass  6 Test12= 7.08D-14 8.33D-09 XBig12= 3.76D-08 2.59D-05.
     11 vectors produced by pass  7 Test12= 7.08D-14 8.33D-09 XBig12= 6.80D-10 4.47D-06.
     11 vectors produced by pass  8 Test12= 7.08D-14 8.33D-09 XBig12= 1.12D-11 4.45D-07.
      7 vectors produced by pass  9 Test12= 7.08D-14 8.33D-09 XBig12= 1.48D-13 4.86D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   106 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.600111D+02
      2  0.220795D+01  0.582427D+02
      3 -0.239061D+00 -0.250813D+01  0.476352D+02
 Isotropic polarizability for W=    0.093368       55.30 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.372719D+02  0.330570D+01 -0.385226D+01
      2   0.187709D+02  0.811181D+01  0.318693D+01
      3   0.185010D+02 -0.114175D+02  0.665333D+00
      4   0.212794D+02 -0.258491D+02 -0.180393D+02
      5  -0.149195D+01 -0.178491D+02 -0.332563D+02
      6  -0.107535D+02  0.440303D+01  0.780081D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.289260D+01 -0.202394D+01 -0.688883D+01
      2   0.232202D-01 -0.579703D+01 -0.171045D+02
      3  -0.430126D+00  0.119503D+02  0.279527D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.190108D+00  0.121610D+01 -0.192183D+02
      2  -0.236032D+01 -0.728572D+01 -0.517572D+02
      3   0.179737D+02  0.446199D+02  0.709561D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.145335D+01  0.357151D+00  0.167416D+01
      2   0.357151D+00  0.102250D+01  0.396375D+00
      3   0.167416D+01  0.396375D+00  0.321685D+00
 OR G Eigenvalues:    -2.4637     0.6322     1.7224  Iso=     0.0364
 Eigenvectors:
   (1)   0.858582  -0.029767  -0.511811
   (2)  -0.287153   0.799102  -0.528184
   (3)   0.424712   0.600458   0.677547
 w=    0.093368 a.u., Optical Rotation Beta=      0.0364 au.
 Molar Mass =     89.0938 grams/mole, [Alpha] ( 4880.0 A) =       23.02 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   20301 ScalPx= 6.68D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20301 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.11D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D+00 4.48D-01.
     30 vectors produced by pass  1 Test12= 1.18D-14 2.78D-09 XBig12= 2.40D-02 2.78D-02.
     30 vectors produced by pass  2 Test12= 1.18D-14 2.78D-09 XBig12= 6.37D-04 4.00D-03.
     30 vectors produced by pass  3 Test12= 1.18D-14 2.78D-09 XBig12= 6.62D-06 4.40D-04.
     30 vectors produced by pass  4 Test12= 1.18D-14 2.78D-09 XBig12= 8.10D-08 3.34D-05.
     30 vectors produced by pass  5 Test12= 1.18D-14 2.78D-09 XBig12= 7.36D-10 2.79D-06.
     30 vectors produced by pass  6 Test12= 1.18D-14 2.78D-09 XBig12= 4.41D-12 1.89D-07.
     28 vectors produced by pass  7 Test12= 1.18D-14 2.78D-09 XBig12= 2.72D-14 1.56D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   238 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20301 ScalPx= 2.02D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20301 ScalPx= 2.02D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20301 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.11D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.600111D+02  0.220795D+01 -0.239061D+00
      2   0.220795D+01  0.582427D+02 -0.250813D+01
      3  -0.239061D+00 -0.250813D+01  0.476352D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.289260D+01 -0.202394D+01 -0.688883D+01
      2   0.232202D-01 -0.579703D+01 -0.171045D+02
      3  -0.430126D+00  0.119503D+02  0.279527D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.372719D+02  0.330570D+01 -0.385226D+01
      2   0.187709D+02  0.811181D+01  0.318693D+01
      3   0.185010D+02 -0.114175D+02  0.665333D+00
      4   0.212794D+02 -0.258491D+02 -0.180393D+02
      5  -0.149195D+01 -0.178491D+02 -0.332563D+02
      6  -0.107535D+02  0.440303D+01  0.780081D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.596449D+01 -0.214346D+01  0.152573D+01 -0.913285D+00 -0.309218D+01
      2  -0.214346D+01 -0.317328D+01 -0.835959D+00 -0.309218D+01 -0.251573D+01
      3   0.152573D+01 -0.835959D+00 -0.378116D+00 -0.104928D+01  0.960600D+00
                 6             7             8             9            10 
      1  -0.104928D+01  0.299480D+01 -0.130241D+01 -0.336219D+00 -0.343436D+01
      2   0.960600D+00 -0.130241D+01  0.143106D+01  0.212517D+01  0.536188D+00
      3   0.242913D+01 -0.336219D+00  0.212517D+01 -0.519152D+01 -0.882081D+00
                11            12            13            14            15 
      1   0.536188D+00 -0.882081D+00 -0.231359D+00  0.245181D+01  0.138371D+01
      2   0.253087D+01  0.689097D+00  0.245181D+01  0.906310D+00  0.418206D-01
      3   0.689097D+00  0.492547D+00  0.138371D+01  0.418206D-01 -0.266364D+01
                16            17            18            19            20 
      1  -0.222996D+01  0.874688D+00  0.353539D+00  0.357285D+00 -0.190294D+01
      2   0.874688D+00 -0.230335D+00 -0.331205D+01 -0.190294D+01 -0.245831D+01
      3   0.353539D+00 -0.331205D+01  0.518009D+01  0.163511D+01  0.104896D+01
                21            22            23            24            25 
      1   0.163511D+01 -0.369393D+01 -0.298216D+01  0.949839D+00  0.240547D+01
      2   0.104896D+01 -0.298216D+01 -0.163055D+01  0.813068D-01  0.122893D+01
      3  -0.285656D+00  0.949839D+00  0.813068D-01 -0.112399D+00 -0.357101D+00
                26            27            28            29            30 
      1   0.122893D+01 -0.357101D+00  0.863162D+01  0.402880D+01 -0.201878D+01
      2  -0.259305D+00  0.446960D+00  0.402880D+01  0.368591D+01 -0.102350D+01
      3   0.446960D+00 -0.612006D+00 -0.201878D+01 -0.102350D+01  0.183509D+01
                31            32            33            34            35 
      1   0.467978D+01  0.366969D+01 -0.634806D+00 -0.184627D+01 -0.526174D+00
      2   0.366969D+01  0.712604D+01 -0.124602D+01 -0.526174D+00 -0.856789D+00
      3  -0.634806D+00 -0.124602D+01  0.191149D+01  0.279497D+01  0.216876D+01
                36            37            38            39            40 
      1   0.279497D+01  0.462569D+01 -0.583582D+00 -0.644675D+00 -0.984402D+00
      2   0.216876D+01 -0.583582D+00 -0.891075D+00  0.433332D+00 -0.113920D+01
      3  -0.231279D+01 -0.644675D+00  0.433332D+00 -0.137115D+00  0.189765D+00
                41            42            43            44            45 
      1  -0.113920D+01  0.189765D+00 -0.652268D+00  0.734362D+00 -0.146494D+00
      2  -0.291291D+01  0.113971D+01  0.734362D+00  0.295634D+01  0.212220D+01
      3   0.113971D+01  0.203638D+01 -0.146494D+00  0.212220D+01  0.229688D+01
                46            47            48            49            50 
      1   0.618268D+01 -0.952781D+00  0.180118D+01  0.185719D+01  0.265180D+01
      2  -0.952781D+00  0.304640D+01 -0.946989D+00  0.265180D+01 -0.359691D+01
      3   0.180118D+01 -0.946989D+00  0.125405D+01 -0.140860D+00  0.725027D+00
                51            52            53            54            55 
      1  -0.140860D+00  0.351443D+00 -0.974873D+00  0.986717D+00  0.736363D-01
      2   0.725027D+00 -0.974873D+00  0.927414D+00 -0.176760D+01  0.332329D+00
      3  -0.667466D+00  0.986717D+00 -0.176760D+01  0.264676D+01 -0.965386D+00
                56            57            58            59            60 
      1   0.332329D+00 -0.965386D+00  0.609496D+00 -0.541598D+00 -0.114492D+00
      2  -0.511246D+00 -0.146743D+00 -0.541598D+00  0.169993D+01 -0.150647D+01
      3  -0.146743D+00 -0.369336D+00 -0.114492D+00 -0.150647D+01  0.211925D+01
                61            62            63            64            65 
      1  -0.126938D+01 -0.155833D+00 -0.316270D+00 -0.893150D+01  0.247361D+01
      2  -0.155833D+00 -0.219205D+01  0.201818D+01  0.247361D+01 -0.201191D+01
      3  -0.316270D+00  0.201818D+01 -0.780084D+01 -0.637694D+00  0.367277D-01
                66            67            68            69            70 
      1  -0.637694D+00  0.128481D+01 -0.121016D+01  0.241539D+00 -0.197352D+01
      2   0.367277D-01 -0.121016D+01  0.146745D+01 -0.297103D+00  0.552471D+00
      3  -0.143128D+01  0.241539D+00 -0.297103D+00  0.374923D-01 -0.108973D+01
                71            72            73            74            75 
      1   0.552471D+00 -0.108973D+01 -0.654603D+00  0.106613D+00  0.763822D+00
      2  -0.904385D+00  0.822100D-01  0.106613D+00  0.428807D+00  0.172335D+00
      3   0.822100D-01 -0.190821D+00  0.763822D+00  0.172335D+00  0.124311D+00
                76            77            78            79            80 
      1  -0.478398D+00  0.312211D+00  0.377965D+00  0.130616D+01 -0.656864D-01
      2   0.312211D+00 -0.571638D+00  0.752866D+00 -0.656864D-01  0.160038D+01
      3   0.377965D+00  0.752866D+00 -0.190021D+01 -0.716418D+00 -0.227868D+00
                81            82            83            84            85 
      1  -0.716418D+00  0.106680D+01  0.129810D+01 -0.137013D+00  0.179981D+01
      2  -0.227868D+00  0.129810D+01  0.290477D+01  0.425378D+00  0.152853D+01
      3   0.787326D+01 -0.137013D+00  0.425378D+00  0.834958D+00  0.789349D-01
                86            87            88            89            90 
      1   0.152853D+01  0.789349D-01 -0.383893D+00  0.252078D+00  0.325140D+00
      2   0.710977D+01  0.331783D+00  0.252078D+00 -0.364364D+00  0.729196D+00
      3   0.331783D+00  0.100132D+01  0.325140D+00  0.729196D+00  0.448326D+00
                91            92            93            94            95 
      1  -0.850090D+01 -0.139481D+01  0.986845D+00 -0.156706D+00 -0.574246D+00
      2  -0.139481D+01 -0.172669D+01 -0.163147D+00 -0.574246D+00 -0.183493D+00
      3   0.986845D+00 -0.163147D+00 -0.139370D+01 -0.314473D+00  0.151407D+00
                96            97            98            99           100 
      1  -0.314473D+00  0.257990D+01  0.407280D-02 -0.743907D+00 -0.434945D+00
      2   0.151407D+00  0.407280D-02  0.604269D+00 -0.307349D+00 -0.719674D+00
      3  -0.376342D-01 -0.743907D+00 -0.307349D+00  0.596512D+00 -0.512874D+00
               101           102           103           104           105 
      1  -0.719674D+00 -0.512874D+00 -0.113566D+01 -0.808247D+00 -0.725658D+00
      2  -0.238383D+00 -0.341329D+00 -0.808247D+00 -0.353737D+01 -0.208191D+01
      3  -0.341329D+00  0.189331D+00 -0.725658D+00 -0.208191D+01 -0.292859D+01
               106           107           108           109           110 
      1  -0.130610D+01 -0.811694D+00 -0.759819D+00 -0.494589D+01 -0.107839D+01
      2  -0.811694D+00 -0.360335D+01 -0.325348D+01 -0.107839D+01 -0.158587D+01
      3  -0.759819D+00 -0.325348D+01 -0.425392D+01 -0.914179D+00  0.651840D+00
               111           112           113           114           115 
      1  -0.914179D+00 -0.263734D+01 -0.266238D+00 -0.242176D+00  0.236281D-01
      2   0.651840D+00 -0.266238D+00 -0.336089D+01  0.946992D+00  0.190073D+00
      3  -0.735079D+00 -0.242176D+00  0.946992D+00 -0.122513D+01  0.558781D-02
               116           117 
      1   0.190073D+00  0.558781D-02
      2   0.891106D+00 -0.824332D+00
      3  -0.824332D+00  0.132007D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.374558D+01 -0.872874D+00  0.203372D-01  0.592697D+00 -0.463071D+01
      2  -0.519045D+01  0.332088D+01  0.219524D+01  0.322606D+01  0.438691D+00
      3   0.415754D+01 -0.978825D+01  0.942934D+00 -0.388838D+01 -0.100081D+02
                 6             7             8             9            10 
      1  -0.629102D+01 -0.246151D+00 -0.347496D+00  0.867482D+01  0.306038D+00
      2  -0.288019D+01 -0.246455D+01 -0.230136D+01  0.703645D+01 -0.400290D+01
      3  -0.576368D+00  0.154977D+01 -0.521080D-01  0.309177D+01 -0.241138D+01
                11            12            13            14            15 
      1  -0.801825D+00  0.165708D+01  0.755291D+00 -0.219584D+01  0.204244D+01
      2   0.173737D+01  0.277573D+01 -0.102797D+01  0.132559D+01  0.945401D+00
      3  -0.248932D+01 -0.215785D+01  0.240761D+01  0.432553D+01 -0.176998D+01
                16            17            18            19            20 
      1  -0.262270D+00  0.470593D+01 -0.588866D+00  0.211755D+01  0.306894D-01
      2  -0.502122D+01  0.210752D+01 -0.158425D+01  0.391541D+01 -0.310315D+01
      3  -0.992500D+00 -0.245396D+00 -0.160091D+01 -0.269763D+01  0.480082D+01
                21            22            23            24            25 
      1   0.215815D+01 -0.250603D+01  0.767783D+01  0.329087D+01 -0.286658D+01
      2  -0.613410D+01 -0.648714D+01  0.687511D+00 -0.297870D+01 -0.132410D+02
      3   0.128535D+01  0.718828D+01  0.488369D+01  0.113538D+01  0.508869D+01
                26            27            28            29            30 
      1   0.729650D+01 -0.761080D+01 -0.835895D+00 -0.195166D+01 -0.436894D+01
      2   0.108774D+01 -0.132409D+01  0.119106D+01  0.358039D-01  0.874054D+01
      3  -0.633043D-01  0.119951D+01  0.174522D+01 -0.107122D+02  0.107744D+01
                31            32            33            34            35 
      1   0.611336D+00 -0.298254D+01 -0.603984D+01  0.142553D+01  0.244518D+01
      2   0.374083D+01 -0.160377D+01  0.455517D+01  0.182157D+01  0.172152D+01
      3   0.199204D+01 -0.108902D+02  0.886027D+00 -0.147824D+01  0.122983D+01
                36            37            38            39            40 
      1   0.193833D+01 -0.178948D+01  0.207287D+01 -0.657117D+00  0.171275D+01
      2  -0.206415D+01  0.140176D+01 -0.126851D+01  0.313559D+01 -0.895649D+00
      3  -0.337714D+01 -0.103941D+02 -0.623448D+01  0.214324D+01  0.514680D+01
                41            42            43            44            45 
      1   0.495597D+01 -0.202916D+01  0.111017D+01  0.781384D+01  0.514975D+01
      2  -0.265035D+01 -0.248653D+01 -0.384795D+01 -0.353262D+01 -0.276016D+01
      3  -0.171224D+01  0.112984D+01  0.287553D+01  0.146476D+01  0.294770D+01
                46            47            48            49            50 
      1   0.286654D+01  0.258698D+01  0.332627D+01  0.296060D+01 -0.108206D+01
      2  -0.621207D+01 -0.223839D+01  0.488363D+01 -0.563482D+00  0.172004D+00
      3  -0.128931D+02 -0.956917D+01 -0.110525D+01 -0.399480D+01  0.822309D+00
                51            52            53            54            55 
      1  -0.407791D+01  0.238049D+01  0.144781D+01  0.347482D+01  0.126747D+00
      2  -0.827882D+00  0.107501D+01 -0.249937D+01  0.366034D+01  0.562972D+00
      3  -0.193273D+01 -0.248567D+01 -0.180559D+00  0.134784D+01  0.125526D+01
                56            57            58            59            60 
      1   0.215623D+00  0.187278D+00 -0.187835D+00 -0.738038D+00 -0.136885D+01
      2  -0.780883D-01  0.457667D+00  0.930418D+00  0.460109D+00 -0.119382D+01
      3  -0.111177D+01  0.659234D-01  0.137389D+01  0.400510D+00 -0.644646D+00
                61            62            63            64            65 
      1   0.651746D+00  0.257207D+01  0.318244D+01  0.135131D+01 -0.567826D+00
      2  -0.285617D+01 -0.140642D+01  0.377524D+01  0.458483D+01 -0.900066D+00
      3  -0.137929D+01 -0.136381D+01  0.502664D+00 -0.855312D+01 -0.282777D+01
                66            67            68            69            70 
      1   0.262515D+01 -0.749180D+00  0.797175D+00 -0.866845D+00  0.141961D+01
      2   0.519944D+01 -0.120008D+01  0.580190D+00 -0.423633D+00  0.106439D+01
      3  -0.123143D+01  0.155893D+01  0.785941D+00 -0.202019D+00 -0.129804D+01
                71            72            73            74            75 
      1   0.580889D+00  0.349526D+00 -0.107151D+01  0.360570D+00  0.134175D+00
      2   0.206850D-01  0.113860D+01 -0.700802D+00 -0.102281D+00  0.194339D+00
      3  -0.131968D+01 -0.146898D+01 -0.745436D+00 -0.153347D-01  0.101433D+01
                76            77            78            79            80 
      1   0.116461D+00 -0.233466D+01  0.195203D+01  0.630915D+00  0.436421D+01
      2   0.361802D+00 -0.118684D+01  0.238917D+01 -0.251405D+01  0.821896D+00
      3   0.645258D+00 -0.276120D+00  0.135256D+01  0.143795D+01  0.219056D+01
                81            82            83            84            85 
      1  -0.109053D+02  0.147561D+01  0.929739D+00 -0.202396D+01  0.868270D+00
      2  -0.101924D+02 -0.619182D+00 -0.103275D+01 -0.508462D-02 -0.113683D+01
      3  -0.145338D+01  0.533701D+01  0.464369D+01 -0.304178D+00  0.713048D+01
                86            87            88            89            90 
      1   0.333045D+01 -0.329967D+01 -0.700847D+00  0.134943D+00 -0.223971D+00
      2  -0.171360D+01 -0.743161D+00 -0.107940D+01 -0.688385D+00 -0.717754D+00
      3   0.114313D+02  0.501440D+00 -0.924107D+00  0.243933D+00  0.156429D+01
                91            92            93            94            95 
      1   0.283157D+01  0.196958D+00 -0.199372D+01 -0.386174D+00  0.627914D+00
      2  -0.212868D+01 -0.407596D+00  0.422702D+01  0.307383D+00 -0.579176D+00
      3   0.102905D+02 -0.303335D+01 -0.158605D+01 -0.159479D+00  0.121789D+01
                96            97            98            99           100 
      1  -0.169993D+00 -0.828016D+00 -0.121982D-01  0.740390D+00 -0.744983D-01
      2  -0.238201D+00  0.530024D+00  0.394132D+00 -0.145832D+01  0.277209D+00
      3   0.107158D+01 -0.428764D+01  0.179944D+01  0.269606D+00  0.590118D-01
               101           102           103           104           105 
      1  -0.143033D+00  0.330339D+00 -0.134841D+01 -0.200722D+01 -0.500873D+01
      2   0.336553D+00 -0.107923D+00  0.494074D+00  0.266468D+01  0.417455D+01
      3   0.930347D-02 -0.209073D+00  0.180423D+01 -0.357142D+01 -0.138310D+01
               106           107           108           109           110 
      1  -0.126352D+01 -0.242871D+01 -0.640649D+01 -0.355839D+01 -0.205621D+01
      2  -0.887085D+00  0.415743D+01  0.538991D+01  0.680143D+01  0.244626D+01
      3   0.133600D+01 -0.383030D+01 -0.331113D+01  0.137465D+02  0.720632D+01
               111           112           113           114           115 
      1  -0.139504D+01 -0.232036D+01 -0.164294D+00 -0.195069D+01 -0.347308D+00
      2  -0.174471D+01  0.225058D+01  0.140497D+01 -0.292168D+00 -0.258500D+01
      3   0.131879D+01  0.880061D+01  0.369494D+01  0.312513D+00  0.557539D+00
               116           117 
      1   0.548535D+00  0.971158D+00
      2  -0.986830D+00 -0.779894D+00
      3   0.126641D+00  0.288172D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.238037D+02  0.153935D+02 -0.356484D+01  0.142183D+02  0.102541D+02
      2   0.465937D+01 -0.144651D+02  0.581196D+00 -0.128456D+02 -0.140741D+02
      3   0.191443D+02 -0.928386D+00  0.298365D+01 -0.137266D+01  0.381994D+01
      4   0.194426D+02 -0.889250D+00  0.588936D+01  0.400428D+01 -0.427185D+01
      5  -0.306086D+01  0.122474D+01  0.243718D+01  0.179797D+01 -0.499975D+01
      6   0.415134D+01 -0.381676D+01 -0.810177D+00 -0.430990D+01  0.283911D+01
                 6             7             8             9            10 
      1  -0.211280D+01 -0.645265D+01 -0.902336D+00  0.263328D+01  0.735515D+01
      2  -0.157732D+01  0.137697D+00  0.419964D+00  0.131294D+02 -0.357876D+01
      3   0.369012D+01  0.631495D+01  0.482372D+00 -0.157627D+02 -0.377639D+01
      4  -0.412530D+01  0.937711D+01 -0.593171D+01 -0.802462D+01 -0.952506D+00
      5  -0.592547D+01  0.257838D+01 -0.630489D+01  0.118554D+02 -0.235245D+00
      6   0.715310D+01 -0.274061D+01  0.598132D+01 -0.501092D+01 -0.475649D+00
                11            12            13            14            15 
      1   0.236122D+01 -0.324156D+01 -0.597042D+01  0.296051D+01 -0.546645D+01
      2  -0.415496D+01  0.218513D+01  0.346571D+01 -0.304999D+01 -0.112636D+01
      3   0.179374D+01  0.105643D+01  0.250471D+01  0.894771D-01  0.659280D+01
      4  -0.285084D+01 -0.275232D+01 -0.115673D+02 -0.155872D+01  0.635652D+00
      5  -0.126019D+01 -0.877740D-01 -0.526692D+01  0.407574D+00  0.158807D+01
      6   0.329510D+01 -0.264438D+01 -0.265148D+00  0.420437D-01 -0.107978D+02
                16            17            18            19            20 
      1   0.359089D+01 -0.219668D+01  0.744447D+01 -0.158394D+02 -0.287287D+01
      2   0.939776D+00 -0.646924D+01  0.496003D+01  0.733016D+01 -0.115463D+01
      3  -0.453066D+01  0.866591D+01 -0.124045D+02  0.850926D+01  0.402751D+01
      4  -0.448543D+01  0.483554D+01  0.793451D+01 -0.155809D+02 -0.171731D+02
      5  -0.473024D+00  0.564107D+01 -0.750263D+01  0.586607D+01  0.505682D+01
      6   0.331506D+01 -0.260417D+01  0.708824D+01 -0.502173D+00  0.201316D+00
                21            22            23            24            25 
      1   0.283598D+01 -0.154832D+02 -0.267788D+01 -0.152927D+01  0.477786D+01
      2  -0.169878D+01  0.101355D+02 -0.592192D+01 -0.611788D+01 -0.291905D+01
      3  -0.113720D+01  0.534772D+01  0.859980D+01  0.764715D+01 -0.185881D+01
      4   0.480955D+01 -0.160747D+02 -0.686957D+01 -0.104811D+01  0.825660D+01
      5  -0.110634D+02  0.835743D+01 -0.547674D-01 -0.537484D+01 -0.212831D+01
      6  -0.240735D+01 -0.919909D+00  0.434477D+01 -0.597960D+01  0.976580D+00
                26            27            28            29            30 
      1  -0.151187D+01 -0.549511D+01  0.389361D+02  0.100242D+02 -0.404687D+01
      2   0.594632D+01 -0.431636D+00 -0.199382D+02 -0.314094D+00  0.508353D+01
      3  -0.443445D+01  0.592675D+01 -0.189979D+02 -0.971015D+01 -0.103666D+01
      4  -0.383494D+01 -0.219096D+01  0.256193D+02  0.242752D+02 -0.474476D+01
      5  -0.299691D+00 -0.450324D+00 -0.112664D+02 -0.508706D+01  0.165979D+02
      6   0.435544D+01  0.616046D+01 -0.939709D+00 -0.132907D+01  0.534254D+01
                31            32            33            34            35 
      1   0.134110D+02  0.241733D+01  0.782021D+00 -0.465560D+01  0.101698D+01
      2  -0.338361D+01  0.106669D+02  0.140247D+01  0.414442D+01 -0.432542D-01
      3  -0.100274D+02 -0.130842D+02 -0.218449D+01  0.511177D+00 -0.973722D+00
      4   0.267450D+02  0.272195D+02 -0.439793D+01 -0.385576D+01 -0.300440D+01
      5  -0.446842D+01 -0.521246D+01  0.933636D+01  0.164200D+02  0.822113D+01
      6  -0.232730D+01 -0.238208D+01  0.882031D+01  0.439573D+01  0.718132D+01
                36            37            38            39            40 
      1   0.323942D+01 -0.148769D+02 -0.407907D+01  0.765651D+01  0.137709D+01
      2  -0.675095D+01  0.928641D+01  0.550061D+01 -0.624946D+01  0.193202D+01
      3   0.351153D+01  0.559048D+01 -0.142154D+01 -0.140706D+01 -0.330911D+01
      4   0.878606D+01 -0.758641D+01  0.736487D+01 -0.625599D+00  0.111397D+02
      5  -0.939519D+01  0.504090D+01 -0.229512D+01  0.578445D+01 -0.171341D+01
      6  -0.384997D+01  0.206427D+01 -0.283013D+01  0.142785D+01 -0.818897D+00
                41            42            43            44            45 
      1  -0.429312D+01  0.319517D+01  0.704795D+01  0.274626D+01  0.331271D+01
      2   0.142697D+02 -0.225187D+01 -0.695676D+01 -0.156038D+01 -0.625631D+01
      3  -0.997660D+01 -0.943294D+00 -0.911894D-01 -0.118588D+01  0.294360D+01
      4   0.940764D+01 -0.312282D+01 -0.108871D+01 -0.815856D+01 -0.510065D+01
      5  -0.344685D+01 -0.478961D+01  0.429823D+01 -0.638385D+01 -0.495433D+01
      6  -0.836077D+01  0.676994D+00 -0.147366D+01 -0.502532D+01 -0.112566D+02
                46            47            48            49            50 
      1   0.137718D+02  0.555930D-01 -0.298714D+00  0.414181D+01 -0.566608D+01
      2  -0.744506D+01 -0.446825D+01 -0.253102D+01 -0.672724D+01  0.138654D+02
      3  -0.632670D+01  0.441266D+01  0.282973D+01  0.258543D+01 -0.819935D+01
      4  -0.170982D+02  0.157489D+02 -0.554711D+01  0.109262D+02 -0.151337D+02
      5   0.517688D+01 -0.399757D+01  0.109107D+02 -0.236444D+01  0.420114D+01
      6  -0.333361D+01  0.271156D+01 -0.513198D+01  0.147943D+01 -0.446009D+01
                51            52            53            54            55 
      1   0.307062D+01 -0.185041D+01  0.348617D+01 -0.457364D+01 -0.765367D-01
      2   0.384637D+00  0.157942D+00 -0.244457D+01 -0.477954D+01 -0.229698D+01
      3  -0.345526D+01  0.169247D+01 -0.104161D+01  0.935318D+01  0.237352D+01
      4   0.290741D+01 -0.337132D+01  0.429236D+01 -0.690296D+01 -0.769633D+00
      5  -0.266041D+01  0.932752D+01 -0.579359D+01  0.940633D+01  0.157714D+01
      6   0.103295D+02 -0.344057D+01  0.847997D+01 -0.729286D+01 -0.201833D+01
                56            57            58            59            60 
      1  -0.661332D+00  0.191010D+01  0.879180D+00 -0.559675D+01  0.491806D+01
      2   0.562531D+00 -0.969777D+00 -0.292963D+00  0.156903D+01  0.352624D+00
      3   0.988014D-01 -0.940323D+00 -0.586217D+00  0.402772D+01 -0.527068D+01
      4   0.296188D+01 -0.118349D+01  0.356321D+01 -0.326385D+01  0.222480D+01
      5  -0.134785D+01  0.607983D+01 -0.774557D+00  0.212819D+01 -0.302092D+01
      6  -0.444676D+00  0.209432D+00  0.444131D+00 -0.593585D+01  0.961986D+01
                61            62            63            64            65 
      1  -0.679660D-01  0.492204D+01 -0.166697D+02  0.418731D+02 -0.775136D+01
      2  -0.801734D+00  0.211491D+01 -0.132358D+02 -0.157666D+02 -0.117201D+01
      3   0.869700D+00 -0.703695D+01  0.299056D+02 -0.261065D+02  0.892337D+01
      4  -0.890646D+00  0.345580D+01 -0.354823D+01 -0.295113D+02  0.161317D+02
      5   0.500633D+01 -0.266841D+01  0.106298D+02 -0.118376D+01  0.665564D+00
      6  -0.134566D+01  0.792796D+01 -0.124710D+02 -0.185404D+01 -0.326605D+00
                66            67            68            69            70 
      1   0.400748D+01 -0.391600D+01  0.262369D+01 -0.142527D+00  0.762947D+01
      2  -0.738661D+00 -0.157761D+01  0.361769D+01 -0.288235D+00 -0.257931D+01
      3  -0.326882D+01  0.549361D+01 -0.624138D+01  0.430761D+00 -0.505016D+01
      4  -0.214000D+01  0.115559D+02 -0.781632D+01  0.162876D+01 -0.568010D+01
      5   0.752482D+01  0.158600D+00  0.795660D+00 -0.525588D+00  0.670300D+01
      6  -0.454118D+01  0.504536D+00 -0.105028D+00  0.151218D+01 -0.353355D+01
                71            72            73            74            75 
      1  -0.280589D+00  0.365902D+01  0.282957D+01 -0.156984D+01 -0.243892D+01
      2  -0.142423D+01 -0.365046D+01 -0.317061D+01  0.140494D+01  0.159541D+01
      3   0.170482D+01 -0.855433D-02  0.341037D+00  0.164902D+00  0.843506D+00
      4   0.433394D+01 -0.295165D+01 -0.209031D+01  0.838052D+00  0.643504D+00
      5  -0.116648D+01  0.217753D+01 -0.193700D+01 -0.572227D+00  0.479676D+01
      6   0.167473D+01 -0.128200D+01  0.537481D+00  0.760124D+00  0.871211D-02
                76            77            78            79            80 
      1   0.325733D-01 -0.244278D+01  0.614974D+00 -0.301972D+01 -0.144211D+01
      2   0.449178D-01 -0.712780D-01  0.494187D+01  0.320261D+01  0.460585D+01
      3  -0.774912D-01  0.251406D+01 -0.555685D+01 -0.182895D+00 -0.316374D+01
      4   0.908154D-01  0.244278D+01 -0.205631D+01  0.232702D+01 -0.423016D+01
      5  -0.230826D+01 -0.168131D+01  0.455541D+01  0.708804D+01  0.890139D+00
      6   0.189665D+00 -0.105423D+01  0.209208D+01 -0.104920D+01  0.448219D+01
                81            82            83            84            85 
      1  -0.117659D+02 -0.230614D+01 -0.985161D+01 -0.702912D+00 -0.837888D+01
      2  -0.174317D+02  0.564417D+01  0.139373D+02  0.179101D+00  0.939314D+01
      3   0.291976D+02 -0.333803D+01 -0.408570D+01  0.523811D+00 -0.101426D+01
      4   0.152432D+01  0.252609D+01  0.219826D+01 -0.756599D+00  0.519106D+01
      5  -0.193231D+02  0.180948D+01  0.111349D+01 -0.377148D+00  0.195396D+01
      6   0.127007D+02  0.243375D+00  0.259664D+01  0.333057D+01  0.152836D+01
                86            87            88            89            90 
      1  -0.229253D+02 -0.138173D+01  0.542749D+00  0.200672D-01 -0.378861D+01
      2   0.373672D+02  0.583315D+00 -0.139684D+00 -0.118852D+01  0.218076D+01
      3  -0.144419D+02  0.798417D+00 -0.403064D+00  0.116845D+01  0.160785D+01
      4  -0.606341D+01  0.404605D-01 -0.145262D+01  0.918917D+00  0.598565D+00
      5   0.192008D+01 -0.136824D+01  0.838343D+00 -0.306784D+00 -0.102608D+01
      6   0.528612D+01  0.630535D+01  0.205925D+01  0.567573D+01  0.560190D+00
                91            92            93            94            95 
      1   0.376021D+02  0.362526D+01 -0.558744D+01 -0.812949D+00  0.155755D+01
      2  -0.193137D+02  0.125535D+00  0.259221D+01  0.155127D+01  0.290970D+00
      3  -0.182884D+02 -0.375079D+01  0.299523D+01 -0.738323D+00 -0.184852D+01
      4   0.170969D+02  0.871146D+01 -0.151824D+01  0.478171D+01  0.876015D+00
      5  -0.243558D+01  0.404637D+00  0.636275D+01  0.154123D+01 -0.642586D+00
      6  -0.219285D+01  0.658521D+00  0.323385D+01  0.605001D+00 -0.911573D-01
                96            97            98            99           100 
      1   0.139219D+01 -0.992246D+01  0.796868D-01  0.268239D+01  0.138461D+01
      2  -0.993712D+00  0.638818D+01 -0.683378D+00 -0.227858D+01 -0.591525D+00
      3  -0.398478D+00  0.353427D+01  0.603691D+00 -0.403813D+00 -0.793085D+00
      4  -0.254832D+00 -0.433917D+01 -0.976156D+00  0.139334D+01  0.313164D+01
      5  -0.207453D+00  0.439876D+01  0.941060D+00 -0.241115D+01  0.187405D+01
      6   0.125049D+01  0.112321D+01  0.187528D+01 -0.109610D+01  0.215065D+01
               101           102           103           104           105 
      1   0.145800D+01  0.140607D+01  0.204218D+01 -0.686323D+01 -0.427543D+01
      2  -0.770208D-01 -0.468222D-01 -0.711116D+00  0.813389D+01  0.379491D+01
      3  -0.138098D+01 -0.135925D+01 -0.133106D+01 -0.127066D+01  0.480522D+00
      4   0.423553D+01  0.302909D+01  0.569010D+01  0.960388D+01  0.633778D+01
      5   0.264545D+01  0.268661D+01  0.360934D+01  0.673120D+01  0.896995D+01
      6   0.856562D+00  0.181623D+00  0.358064D+01  0.117571D+02  0.128282D+02
               106           107           108           109           110 
      1   0.228171D+01 -0.693078D+01 -0.913873D+01 -0.683484D+01 -0.318781D+01
      2  -0.117263D+01  0.453256D+01  0.146356D+01  0.517390D+01  0.280321D+01
      3  -0.110908D+01  0.239823D+01  0.767517D+01  0.166094D+01  0.384604D+00
      4   0.497425D+01  0.953543D+01  0.811272D+01  0.798071D+01 -0.331003D+01
      5   0.525390D+01  0.963463D+01  0.121209D+02 -0.146476D+01  0.941192D+00
      6   0.326254D+01  0.146146D+02  0.166791D+02  0.216926D+01 -0.233258D+01
               111           112           113           114           115 
      1   0.174637D+01 -0.301262D+01 -0.817650D+01  0.260727D+01  0.257544D+00
      2   0.177306D+00  0.195952D+01  0.109933D+02 -0.244862D+01 -0.242087D+00
      3  -0.192368D+01  0.105311D+01 -0.281681D+01 -0.158649D+00 -0.154562D-01
      4   0.238849D+01  0.396506D+01 -0.236447D+01  0.991383D+00  0.228791D+00
      5  -0.401762D+01 -0.522534D+00 -0.146130D+00 -0.577260D+00  0.699927D+00
      6   0.180049D+01  0.703166D-01 -0.438812D+01  0.382458D+01  0.658840D+00
               116           117 
      1   0.266524D+01 -0.329633D+01
      2  -0.213395D+01  0.132442D+01
      3  -0.531295D+00  0.197191D+01
      4  -0.123604D+01  0.369555D+00
      5  -0.196383D+00 -0.136622D+01
      6   0.362366D+01 -0.343739D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:26:17 2021, MaxMem=  5637144576 cpu:            4603.5 elap:             576.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.98895 -18.93413 -14.20590 -10.20175 -10.13727
 Alpha  occ. eigenvalues --  -10.08852  -1.22250  -1.13725  -1.05478  -0.90258
 Alpha  occ. eigenvalues --   -0.79472  -0.72146  -0.65588  -0.65354  -0.61762
 Alpha  occ. eigenvalues --   -0.57850  -0.55627  -0.53285  -0.51229  -0.49556
 Alpha  occ. eigenvalues --   -0.47790  -0.42913  -0.41774  -0.37352
 Alpha virt. eigenvalues --    0.01934   0.03902   0.04136   0.05116   0.06677
 Alpha virt. eigenvalues --    0.06992   0.07509   0.09128   0.10223   0.10665
 Alpha virt. eigenvalues --    0.12181   0.13543   0.14339   0.14690   0.15108
 Alpha virt. eigenvalues --    0.15650   0.15719   0.16344   0.17749   0.18810
 Alpha virt. eigenvalues --    0.19590   0.19661   0.20516   0.22328   0.25072
 Alpha virt. eigenvalues --    0.25876   0.26228   0.26573   0.28312   0.29044
 Alpha virt. eigenvalues --    0.29712   0.30372   0.31735   0.32250   0.33426
 Alpha virt. eigenvalues --    0.34165   0.34269   0.36265   0.38208   0.39566
 Alpha virt. eigenvalues --    0.40425   0.40798   0.41291   0.41890   0.43904
 Alpha virt. eigenvalues --    0.44102   0.46175   0.46351   0.47914   0.48726
 Alpha virt. eigenvalues --    0.49606   0.50363   0.50686   0.51563   0.52586
 Alpha virt. eigenvalues --    0.53264   0.55051   0.57453   0.58306   0.58661
 Alpha virt. eigenvalues --    0.61607   0.62868   0.63628   0.64670   0.65247
 Alpha virt. eigenvalues --    0.66122   0.67083   0.68622   0.69104   0.70954
 Alpha virt. eigenvalues --    0.71667   0.72713   0.74351   0.75997   0.77208
 Alpha virt. eigenvalues --    0.79776   0.79806   0.82120   0.84501   0.85447
 Alpha virt. eigenvalues --    0.86360   0.88881   0.91228   0.92898   0.93394
 Alpha virt. eigenvalues --    0.95438   0.99015   1.02091   1.02357   1.04280
 Alpha virt. eigenvalues --    1.05848   1.06947   1.10677   1.13706   1.15774
 Alpha virt. eigenvalues --    1.17023   1.17784   1.19553   1.19914   1.25688
 Alpha virt. eigenvalues --    1.26642   1.29236   1.29597   1.31894   1.33100
 Alpha virt. eigenvalues --    1.39620   1.41623   1.45983   1.47380   1.51755
 Alpha virt. eigenvalues --    1.55206   1.56214   1.58389   1.59389   1.61323
 Alpha virt. eigenvalues --    1.69910   1.71265   1.72383   1.73351   1.74505
 Alpha virt. eigenvalues --    1.75950   1.82569   1.83556   1.85547   1.87074
 Alpha virt. eigenvalues --    1.91497   1.94205   1.94602   1.97862   2.00013
 Alpha virt. eigenvalues --    2.03218   2.05418   2.07857   2.10729   2.14125
 Alpha virt. eigenvalues --    2.15779   2.18152   2.18571   2.20589   2.22292
 Alpha virt. eigenvalues --    2.23893   2.29247   2.30921   2.33980   2.35492
 Alpha virt. eigenvalues --    2.37827   2.42516   2.45578   2.48377   2.52783
 Alpha virt. eigenvalues --    2.56880   2.57325   2.64482   2.67969   2.68624
 Alpha virt. eigenvalues --    2.71371   2.74738   2.79072   2.85194   2.90529
 Alpha virt. eigenvalues --    2.95035   3.01319   3.06241   3.11533   3.25495
 Alpha virt. eigenvalues --    3.35155   3.45224   3.45387   3.46972   3.49446
 Alpha virt. eigenvalues --    3.52202   3.54158   3.55550   3.64574   3.79405
 Alpha virt. eigenvalues --    3.89402   4.04521
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.371793   0.418076  -0.274892   0.051222  -0.070127   0.052522
     2  C    0.418076   5.895143  -0.354249  -0.007412   0.114190   0.136151
     3  C   -0.274892  -0.354249   6.182211   0.192874   0.043036  -0.230143
     4  O    0.051222  -0.007412   0.192874   8.294437  -0.021096  -0.055911
     5  N   -0.070127   0.114190   0.043036  -0.021096   6.504946  -0.082579
     6  O    0.052522   0.136151  -0.230143  -0.055911  -0.082579   8.354621
     7  H    0.061184  -0.207152  -0.136697   0.026875  -0.086540   0.007559
     8  H    0.183393   0.249525  -0.019097   0.004730  -0.050629   0.002037
     9  H    0.382954  -0.111964  -0.105562   0.013891  -0.031592   0.025196
    10  H    0.233154  -0.051052   0.040244  -0.008556   0.016394  -0.007713
    11  H   -0.032637  -0.166169   0.002870   0.000960   0.343848   0.006143
    12  H   -0.025158   0.125815  -0.025434   0.001566   0.368056  -0.007326
    13  H   -0.015526  -0.130778  -0.028327   0.011741   0.070854   0.207176
               7          8          9         10         11         12
     1  C    0.061184   0.183393   0.382954   0.233154  -0.032637  -0.025158
     2  C   -0.207152   0.249525  -0.111964  -0.051052  -0.166169   0.125815
     3  C   -0.136697  -0.019097  -0.105562   0.040244   0.002870  -0.025434
     4  O    0.026875   0.004730   0.013891  -0.008556   0.000960   0.001566
     5  N   -0.086540  -0.050629  -0.031592   0.016394   0.343848   0.368056
     6  O    0.007559   0.002037   0.025196  -0.007713   0.006143  -0.007326
     7  H    1.702710  -0.094450   0.098036  -0.049582   0.039746  -0.112941
     8  H   -0.094450   1.474016  -0.296875  -0.265752  -0.020940   0.013435
     9  H    0.098036  -0.296875   1.380621  -0.247213  -0.009521  -0.002511
    10  H   -0.049582  -0.265752  -0.247213   1.501619   0.012374  -0.006953
    11  H    0.039746  -0.020940  -0.009521   0.012374   0.929762  -0.152187
    12  H   -0.112941   0.013435  -0.002511  -0.006953  -0.152187   0.829738
    13  H    0.011259  -0.005350  -0.000986   0.004817   0.003537  -0.010801
              13
     1  C   -0.015526
     2  C   -0.130778
     3  C   -0.028327
     4  O    0.011741
     5  N    0.070854
     6  O    0.207176
     7  H    0.011259
     8  H   -0.005350
     9  H   -0.000986
    10  H    0.004817
    11  H    0.003537
    12  H   -0.010801
    13  H    0.664257
 Mulliken charges:
               1
     1  C    0.664040
     2  C    0.089876
     3  C    0.713165
     4  O   -0.505321
     5  N   -0.118762
     6  O   -0.407732
     7  H   -0.260008
     8  H   -0.174043
     9  H   -0.094474
    10  H   -0.171782
    11  H    0.042213
    12  H    0.004701
    13  H    0.218127
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.223741
     2  C   -0.170131
     3  C    0.713165
     4  O   -0.505321
     5  N   -0.071847
     6  O   -0.189606
 Electronic spatial extent (au):  <R**2>=            571.0266
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.2982    Y=             -1.3070    Z=             -0.6343  Tot=              5.4938
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -40.2439   YY=            -36.2829   ZZ=            -35.1685
   XY=             -0.6667   XZ=              1.0521   YZ=              2.7489
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.0122   YY=              0.9489   ZZ=              2.0632
   XY=             -0.6667   XZ=              1.0521   YZ=              2.7489
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -19.3522  YYY=             -7.1793  ZZZ=             -2.4446  XYY=             -5.2338
  XXY=             -6.9029  XXZ=             -0.3618  XZZ=             -1.1058  YZZ=             -3.8066
  YYZ=             -1.4161  XYZ=              0.5540
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -374.6892 YYYY=           -239.7733 ZZZZ=            -89.4253 XXXY=              6.8471
 XXXZ=              2.2089 YYYX=              3.9831 YYYZ=              3.5812 ZZZX=              3.2172
 ZZZY=              1.2899 XXYY=           -108.7384 XXZZ=            -80.8764 YYZZ=            -53.5832
 XXYZ=              5.5829 YYXZ=              6.6755 ZZXY=              3.4857
 N-N= 2.508298141574D+02 E-N=-1.258331688216D+03  KE= 3.211804334743D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:26:18 2021, MaxMem=  5637144576 cpu:               2.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.04538836D+00-5.32798870D-01-2.41207447D-01
 Polarizability= 5.53894139D+01 2.07466857D+00 5.36253798D+01
                -3.70774911D-01-2.08194124D+00 4.34536877D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.1194    0.1195        1.1038    1.1040
 2     -0.1194   -0.1195        1.2540    1.2541       -0.8840   -0.8842
 3     -1.1038   -1.1040        6.1881    6.1880       -1.2542   -1.2541
 4     -1.2540   -1.2541       -0.0000    0.0000       -1.1041   -1.1040
 5     -5.3041   -5.3038        1.1041    1.1040        0.1195    0.1195
 6      1.2542    1.2541       -0.1195   -0.1195        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3586   -0.3586        3.3119    3.3119
 2     -3.7622   -3.7622       -0.0000    0.0000        3.3119    3.3119
 3     -3.7622   -3.7622       -0.3586   -0.3586        0.0000    0.0000
 4     -0.3586   -0.3586        3.7622    3.7622       -2.6527   -2.6527
 5     -3.3119   -3.3119       18.5639   18.5639       -3.7622   -3.7622
 6    -15.9113  -15.9113        3.3119    3.3119        0.3586    0.3586
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0006    0.0000       -0.4817   -0.4781       -4.4210   -4.4159
 2      0.4748    0.4781       -5.0079   -5.0163        3.5435    3.5369
 3      4.4177    4.4159      -24.7564  -24.7519        5.0128    5.0163
 4      5.0161    5.0163        0.0001    0.0000        4.4131    4.4159
 5     21.2214   21.2150       -4.4210   -4.4159       -0.4777   -0.4781
 6     -5.0172   -5.0163        0.4759    0.4781       -0.0018    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0008    0.0000       -7.3163   -7.3190        2.0007    2.0007
 2      7.3190    7.3190       -5.1318   -5.1541       17.3792   17.3793
 3     -2.0044   -2.0007       -0.1776   -0.1946        5.1416    5.1541
 4      5.1547    5.1541       -0.0064    0.0000       -1.9999   -2.0007
 5    -17.1696  -17.1846        1.9895    2.0007       -7.3194   -7.3190
 6     -5.1567   -5.1541        7.3297    7.3190        0.0175    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2634    0.2699      -13.4825  -13.4786       -5.8984   -5.8950
 2      7.4027    7.4072      -14.7290  -14.7232       -5.9121   -5.8950
 3      7.4006    7.4072      -13.4778  -13.4786       -7.0443   -7.0392
 4      1.2454    1.2446       -7.1234   -7.1373       14.9610   14.9517
 5     -1.1516   -1.1442       13.8159   13.8110        7.1569    7.1373
 6    -28.7309  -28.7627        1.1480    1.1442       -1.2442   -1.2446
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2270   -0.0011   -0.0010   -0.0006    5.3769    7.6607
 Low frequencies ---   71.0656  239.9752  256.0351
 Diagonal vibrational polarizability:
       17.3564557      12.5954481       9.1215929
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     71.0626               239.9752               256.0351
 Red. masses --      3.8742                 1.3821                 1.5419
 Frc consts  --      0.0115                 0.0469                 0.0596
 IR Inten    --      1.0987                 1.2856                 1.4789
 RamAct Fr= 1--      0.9242                 0.4265                 0.2647
  Dep-P Fr= 1--      0.7386                 0.5895                 0.5388
  Dep-U Fr= 1--      0.8497                 0.7418                 0.7003
 Alpha2 Fr= 1--      0.0002                 0.0013                 0.0011
 Beta2  Fr= 1--      0.1309                 0.0527                 0.0309
 AlphaG Fr= 1--      0.0007                -0.0024                -0.0036
 Gamma2 Fr= 1--      0.1990                -0.0169                -0.1174
 Delta2 Fr= 1--      0.1290                -0.0613                 0.0014
 Raman1 Fr= 1--       3.697                  1.706                  1.059
 ROA1   Fr= 1--      23.229                 -3.581                -11.228
 CID1   Fr= 1--       6.284                 -2.099                -10.604
 Raman2 Fr= 1--       1.571                  0.633                  0.371
 ROA2   Fr= 1--       3.743                  0.086                 -2.829
 CID2   Fr= 1--       2.383                  0.135                 -7.630
 Raman3 Fr= 1--       3.141                  1.266                  0.741
 ROA3   Fr= 1--      23.229                 -3.581                -11.228
 CID3   Fr= 1--       7.395                 -2.830                -15.143
 RC180  Fr= 1--       0.699                  0.484                  0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.12   0.19     0.12  -0.01   0.01    -0.12   0.03  -0.01
     2   6    -0.00   0.05  -0.01    -0.01  -0.03  -0.06    -0.00   0.05   0.05
     3   6    -0.01   0.01  -0.03    -0.02  -0.01  -0.02     0.01   0.01   0.02
     4   8     0.05  -0.11  -0.21    -0.04   0.04   0.05     0.06  -0.05  -0.01
     5   7     0.02   0.02  -0.16    -0.01  -0.02  -0.03     0.05   0.03   0.05
     6   8    -0.08   0.14   0.21    -0.04   0.02   0.03    -0.01  -0.05  -0.07
     7   1    -0.02   0.22   0.05    -0.05  -0.03  -0.05     0.01   0.05   0.04
     8   1    -0.02  -0.12   0.27    -0.04  -0.31   0.43    -0.22  -0.31   0.12
     9   1     0.07  -0.28   0.13     0.66   0.20   0.06     0.13   0.22   0.05
    10   1    -0.05  -0.08   0.30    -0.12   0.10  -0.41    -0.40   0.18  -0.26
    11   1    -0.09  -0.01  -0.48     0.01  -0.01   0.04    -0.11   0.02  -0.41
    12   1     0.32  -0.01  -0.15    -0.08  -0.01  -0.04     0.48  -0.14   0.15
    13   1    -0.08   0.15   0.24    -0.04  -0.00  -0.03    -0.05   0.04   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    282.7451               339.0367               392.7301
 Red. masses --      1.3973                 3.4037                 2.9360
 Frc consts  --      0.0658                 0.2305                 0.2668
 IR Inten    --     27.8476                12.0435                 1.1059
 RamAct Fr= 1--      0.4477                 0.6007                 0.8257
  Dep-P Fr= 1--      0.7481                 0.2716                 0.7127
  Dep-U Fr= 1--      0.8559                 0.4272                 0.8323
 Alpha2 Fr= 1--      0.0000                 0.0067                 0.0005
 Beta2  Fr= 1--      0.0639                 0.0428                 0.1145
 AlphaG Fr= 1--     -0.0009                 0.0027                -0.0007
 Gamma2 Fr= 1--      0.3097                 0.0609                 0.1906
 Delta2 Fr= 1--      0.2366                 0.0970                -0.0762
 Raman1 Fr= 1--       1.791                  2.403                  3.303
 ROA1   Fr= 1--      37.298                  8.947                 15.857
 CID1   Fr= 1--      20.826                  3.724                  4.801
 Raman2 Fr= 1--       0.766                  0.513                  1.374
 ROA2   Fr= 1--       5.539                  0.685                  5.184
 CID2   Fr= 1--       7.227                  1.335                  3.772
 Raman3 Fr= 1--       1.533                  1.026                  2.749
 ROA3   Fr= 1--      37.298                  8.947                 15.857
 CID3   Fr= 1--      24.332                  8.717                  5.769
 RC180  Fr= 1--       0.712                 -0.146                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01   0.00    -0.06   0.04  -0.02     0.04   0.20   0.02
     2   6     0.01   0.04   0.02     0.01  -0.03   0.09    -0.04   0.02   0.14
     3   6     0.03   0.02   0.01     0.02  -0.06   0.09    -0.07  -0.02   0.08
     4   8     0.09  -0.04  -0.03    -0.07  -0.02  -0.05    -0.11  -0.03  -0.07
     5   7     0.05  -0.00  -0.03    -0.19   0.07  -0.14     0.17  -0.13  -0.11
     6   8    -0.04   0.01   0.01     0.27  -0.03   0.07    -0.03  -0.05   0.01
     7   1    -0.01   0.02   0.02     0.18   0.05   0.11     0.00   0.05   0.15
     8   1    -0.15  -0.22   0.04    -0.11  -0.20   0.00     0.08   0.35  -0.02
     9   1     0.01   0.05   0.02     0.05   0.25   0.05    -0.01   0.44   0.10
    10   1    -0.28   0.09  -0.06    -0.24   0.12  -0.24     0.22   0.08  -0.19
    11   1     0.26  -0.09   0.61    -0.17   0.19  -0.12     0.17  -0.43  -0.01
    12   1    -0.47   0.25  -0.17    -0.30   0.24  -0.24     0.21   0.15  -0.29
    13   1    -0.05  -0.02  -0.19     0.42  -0.21   0.17    -0.02  -0.09  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    532.4147               639.0061               744.7541
 Red. masses --      4.9058                 4.1232                 4.9450
 Frc consts  --      0.8193                 0.9920                 1.6160
 IR Inten    --      2.0497                 7.1743                14.8971
 RamAct Fr= 1--      3.1910                 1.4777                 2.0683
  Dep-P Fr= 1--      0.1740                 0.7479                 0.1008
  Dep-U Fr= 1--      0.2965                 0.8558                 0.1831
 Alpha2 Fr= 1--      0.0464                 0.0001                 0.0361
 Beta2  Fr= 1--      0.1577                 0.2108                 0.0631
 AlphaG Fr= 1--      0.0052                -0.0000                 0.0401
 Gamma2 Fr= 1--      0.2404                -0.6174                -1.1548
 Delta2 Fr= 1--      0.0465                 0.0969                -0.0082
 Raman1 Fr= 1--      12.764                  5.911                  8.273
 ROA1   Fr= 1--      24.566                -56.165               -111.127
 CID1   Fr= 1--       1.925                 -9.502                -13.432
 Raman2 Fr= 1--       1.892                  2.529                  0.757
 ROA2   Fr= 1--       5.397                -15.592                -27.650
 CID2   Fr= 1--       2.852                 -6.165                -36.513
 Raman3 Fr= 1--       3.784                  5.058                  1.515
 ROA3   Fr= 1--      24.566                -56.165               -111.127
 CID3   Fr= 1--       6.491                -11.104                -73.373
 RC180  Fr= 1--      -0.407                  0.712                 -0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.10   0.04     0.05  -0.07  -0.02     0.07  -0.11  -0.10
     2   6    -0.22  -0.07   0.03     0.15  -0.13   0.21    -0.05   0.01  -0.04
     3   6     0.02   0.10  -0.08     0.15   0.12   0.12    -0.19   0.24   0.41
     4   8     0.28  -0.07   0.11     0.06   0.16  -0.13     0.02  -0.14  -0.06
     5   7    -0.17  -0.22  -0.05    -0.15  -0.10  -0.01     0.01   0.04  -0.02
     6   8     0.06   0.16  -0.06    -0.17  -0.03  -0.04     0.03   0.05  -0.14
     7   1    -0.39  -0.08   0.04     0.24  -0.14   0.21     0.33  -0.16  -0.12
     8   1    -0.00   0.39   0.13     0.10  -0.15  -0.24     0.01   0.11   0.27
     9   1     0.00   0.26   0.09    -0.10   0.21   0.07     0.34  -0.33  -0.17
    10   1     0.23  -0.07  -0.15     0.03  -0.07  -0.19     0.23  -0.20  -0.01
    11   1    -0.23  -0.29  -0.18    -0.21   0.21  -0.30     0.06  -0.06   0.16
    12   1    -0.03  -0.12  -0.12    -0.14   0.11  -0.15     0.01  -0.10   0.08
    13   1     0.17   0.03   0.02    -0.35   0.21  -0.20     0.08   0.02   0.12
                     10                     11                     12
                      A                      A                      A
 Frequencies --    802.2192               845.8360               874.2559
 Red. masses --      2.8268                 1.3684                 1.2854
 Frc consts  --      1.0718                 0.5768                 0.5789
 IR Inten    --      9.7925                80.6785                78.9541
 RamAct Fr= 1--      8.1933                 2.1373                 1.0137
  Dep-P Fr= 1--      0.0265                 0.2930                 0.2359
  Dep-U Fr= 1--      0.0516                 0.4532                 0.3818
 Alpha2 Fr= 1--      0.1711                 0.0224                 0.0125
 Beta2  Fr= 1--      0.0705                 0.1614                 0.0645
 AlphaG Fr= 1--     -0.0653                 0.0760                -0.0602
 Gamma2 Fr= 1--      0.1960                -0.2140                 0.1728
 Delta2 Fr= 1--      0.1867                -0.2873                 0.3268
 Raman1 Fr= 1--      32.773                  8.549                  4.055
 ROA1   Fr= 1--      24.789                -29.735                 27.044
 CID1   Fr= 1--       0.756                 -3.478                  6.669
 Raman2 Fr= 1--       0.846                  1.937                  0.774
 ROA2   Fr= 1--       3.210                 -2.837                  1.532
 CID2   Fr= 1--       3.796                 -1.465                  1.979
 Raman3 Fr= 1--       1.691                  3.875                  1.548
 ROA3   Fr= 1--      24.789                -29.735                 27.044
 CID3   Fr= 1--      14.658                 -7.674                 17.468
 RC180  Fr= 1--      -0.897                 -0.094                 -0.236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.06  -0.02     0.02  -0.06   0.00    -0.02   0.06   0.02
     2   6     0.11  -0.03   0.12    -0.01  -0.05   0.07     0.04   0.02  -0.05
     3   6    -0.16  -0.02  -0.09    -0.01  -0.02  -0.04    -0.01   0.00   0.00
     4   8    -0.03  -0.13   0.08    -0.00  -0.00   0.03    -0.01   0.00   0.01
     5   7     0.06  -0.01   0.05    -0.00   0.09  -0.08     0.02  -0.10   0.01
     6   8    -0.03   0.18  -0.08    -0.00   0.02  -0.04     0.01  -0.02  -0.03
     7   1     0.01   0.05   0.15    -0.02   0.13   0.13     0.08  -0.08  -0.08
     8   1     0.11  -0.28  -0.35     0.07  -0.04  -0.17    -0.05   0.01   0.12
     9   1    -0.16   0.12   0.04    -0.10   0.21   0.09     0.04  -0.11  -0.04
    10   1    -0.07   0.01  -0.10     0.08  -0.11  -0.21    -0.09   0.12   0.19
    11   1    -0.03   0.37  -0.29     0.13  -0.23   0.36    -0.00   0.22  -0.11
    12   1    -0.14   0.44  -0.24     0.11  -0.23   0.14    -0.28   0.20  -0.18
    13   1     0.21  -0.16  -0.04    -0.15   0.35   0.59    -0.14   0.34   0.72
                     13                     14                     15
                      A                      A                      A
 Frequencies --    941.4244              1015.9197              1060.1932
 Red. masses --      1.8242                 1.5005                 1.6996
 Frc consts  --      0.9526                 0.9124                 1.1256
 IR Inten    --     37.4900                 1.0380                33.3234
 RamAct Fr= 1--      2.5999                 2.0380                 3.4951
  Dep-P Fr= 1--      0.3541                 0.7188                 0.2120
  Dep-U Fr= 1--      0.5230                 0.8364                 0.3499
 Alpha2 Fr= 1--      0.0225                 0.0011                 0.0460
 Beta2  Fr= 1--      0.2266                 0.2841                 0.2038
 AlphaG Fr= 1--      0.0198                 0.0021                -0.0330
 Gamma2 Fr= 1--      0.5315                -0.5835                -0.0635
 Delta2 Fr= 1--      0.3127                -0.0553                -0.6437
 Raman1 Fr= 1--      10.400                  8.152                 13.980
 ROA1   Fr= 1--      61.035                -57.787                -26.696
 CID1   Fr= 1--       5.869                 -7.089                 -1.910
 Raman2 Fr= 1--       2.720                  3.409                  2.446
 ROA2   Fr= 1--      10.255                -13.562                  3.625
 CID2   Fr= 1--       3.771                 -3.978                  1.482
 Raman3 Fr= 1--       5.439                  6.818                  4.892
 ROA3   Fr= 1--      61.035                -57.787                -26.696
 CID3   Fr= 1--      11.221                 -8.476                 -5.457
 RC180  Fr= 1--       0.046                  0.673                 -0.300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.12  -0.07    -0.11  -0.00   0.10     0.09  -0.04   0.05
     2   6    -0.15   0.03   0.04     0.05  -0.10  -0.08    -0.02   0.11  -0.10
     3   6     0.03   0.02  -0.02    -0.01   0.01   0.02    -0.05   0.08   0.05
     4   8     0.02   0.04  -0.01    -0.00  -0.01  -0.00     0.01   0.01  -0.02
     5   7     0.08   0.06   0.05     0.06   0.02  -0.02    -0.01  -0.08   0.02
     6   8     0.02  -0.07   0.04    -0.01   0.01  -0.01     0.02  -0.07   0.03
     7   1    -0.32   0.03   0.05     0.10   0.08  -0.03    -0.34   0.48   0.05
     8   1     0.01   0.19   0.06    -0.05   0.36   0.11     0.18  -0.26  -0.45
     9   1     0.11   0.03  -0.03    -0.02   0.36   0.21    -0.27   0.26   0.14
    10   1     0.26  -0.31  -0.29     0.20  -0.21  -0.27    -0.13   0.07  -0.17
    11   1    -0.02   0.19  -0.23     0.10   0.55  -0.07    -0.01   0.10  -0.01
    12   1    -0.06   0.56  -0.28    -0.23  -0.25   0.15    -0.15  -0.17   0.07
    13   1    -0.04   0.04   0.16     0.03  -0.05  -0.08     0.04  -0.08   0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1131.6660              1206.6474              1272.5746
 Red. masses --      2.4284                 2.4347                 1.4646
 Frc consts  --      1.8324                 2.0886                 1.3974
 IR Inten    --     11.8124                15.7688                 3.0975
 RamAct Fr= 1--      1.4832                 5.3024                 2.9499
  Dep-P Fr= 1--      0.7083                 0.6645                 0.2456
  Dep-U Fr= 1--      0.8293                 0.7984                 0.3943
 Alpha2 Fr= 1--      0.0011                 0.0081                 0.0354
 Beta2  Fr= 1--      0.2050                 0.7056                 0.1939
 AlphaG Fr= 1--      0.0020                -0.0055                 0.0123
 Gamma2 Fr= 1--      0.3368                -0.4337                -0.6675
 Delta2 Fr= 1--      0.6080                -0.1263                 0.4829
 Raman1 Fr= 1--       5.933                 21.210                 11.800
 ROA1   Fr= 1--      51.789                -45.676                -48.624
 CID1   Fr= 1--       8.729                 -2.154                 -4.121
 Raman2 Fr= 1--       2.460                  8.467                  2.326
 ROA2   Fr= 1--       3.220                 -9.398                -19.883
 CID2   Fr= 1--       1.309                 -1.110                 -8.547
 Raman3 Fr= 1--       4.920                 16.934                  4.653
 ROA3   Fr= 1--      51.789                -45.676                -48.624
 CID3   Fr= 1--      10.526                 -2.697                -10.451
 RC180  Fr= 1--       0.659                  0.597                 -0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.09  -0.07     0.02  -0.02   0.08    -0.03  -0.04   0.07
     2   6     0.07   0.25   0.05    -0.06  -0.00  -0.14     0.07   0.03  -0.07
     3   6     0.06  -0.10  -0.01     0.16  -0.14   0.15    -0.07   0.06  -0.06
     4   8    -0.04  -0.02   0.02    -0.06  -0.04   0.01     0.03   0.02  -0.00
     5   7    -0.06  -0.11   0.03    -0.01   0.03   0.05    -0.05   0.01   0.05
     6   8     0.01   0.06  -0.02     0.02   0.11  -0.06    -0.01  -0.04   0.02
     7   1     0.36   0.51   0.12    -0.06  -0.16  -0.19     0.48  -0.25  -0.20
     8   1    -0.05   0.29   0.16     0.08  -0.03  -0.17     0.05   0.12  -0.11
     9   1     0.25  -0.00  -0.05    -0.23   0.26   0.18    -0.02   0.23   0.16
    10   1     0.26  -0.29  -0.21    -0.09   0.03  -0.13     0.06  -0.11  -0.19
    11   1    -0.06  -0.09   0.04    -0.10  -0.26  -0.10    -0.10  -0.46   0.05
    12   1    -0.10  -0.20   0.08     0.08   0.35  -0.17     0.17   0.32  -0.15
    13   1    -0.07   0.13  -0.09    -0.28   0.46  -0.25     0.14  -0.22   0.16
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1336.3115              1361.4278              1407.1613
 Red. masses --      1.5282                 1.3474                 1.3486
 Frc consts  --      1.6079                 1.4714                 1.5734
 IR Inten    --     10.3129                33.3786               150.5979
 RamAct Fr= 1--      1.5879                 3.4924                 2.0754
  Dep-P Fr= 1--      0.7479                 0.4709                 0.3067
  Dep-U Fr= 1--      0.8558                 0.6403                 0.4694
 Alpha2 Fr= 1--      0.0001                 0.0196                 0.0209
 Beta2  Fr= 1--      0.2265                 0.3727                 0.1624
 AlphaG Fr= 1--     -0.0008                -0.0275                 0.0046
 Gamma2 Fr= 1--      0.6005                 0.0904                -0.0339
 Delta2 Fr= 1--      0.0896                -0.8791                 0.0987
 Raman1 Fr= 1--       6.352                 13.970                  8.302
 ROA1   Fr= 1--      60.512                -19.452                 -0.099
 CID1   Fr= 1--       9.527                 -1.392                 -0.012
 Raman2 Fr= 1--       2.718                  4.472                  1.948
 ROA2   Fr= 1--      13.695                  9.202                 -1.603
 CID2   Fr= 1--       5.039                  2.058                 -0.823
 Raman3 Fr= 1--       5.435                  8.944                  3.897
 ROA3   Fr= 1--      60.512                -19.452                 -0.099
 CID3   Fr= 1--      11.133                 -2.175                 -0.025
 RC180  Fr= 1--       0.712                  0.281                 -0.061
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00   0.02    -0.01   0.03  -0.03    -0.05   0.08   0.06
     2   6    -0.19   0.00   0.03    -0.00  -0.13  -0.06     0.02  -0.04  -0.01
     3   6     0.00  -0.02  -0.04     0.01  -0.01   0.02    -0.05   0.06  -0.04
     4   8     0.02   0.02   0.00     0.01   0.02  -0.01    -0.01  -0.03   0.01
     5   7     0.05  -0.01  -0.00    -0.00   0.01   0.05    -0.01  -0.00   0.01
     6   8     0.00  -0.00   0.01    -0.03   0.01  -0.01     0.06  -0.03   0.03
     7   1     0.87   0.02  -0.03     0.18   0.82   0.24     0.07   0.14   0.05
     8   1     0.05  -0.14  -0.07    -0.07   0.01   0.16    -0.02  -0.31  -0.26
     9   1    -0.18  -0.04   0.01    -0.02  -0.04  -0.05     0.18  -0.38  -0.11
    10   1    -0.12   0.09  -0.06    -0.01   0.05   0.11     0.32  -0.17  -0.27
    11   1     0.04   0.21  -0.07    -0.05  -0.21   0.00    -0.03  -0.04  -0.02
    12   1    -0.15  -0.12   0.07     0.07   0.25  -0.10     0.02   0.08  -0.04
    13   1    -0.04   0.06  -0.06     0.10  -0.14   0.10    -0.30   0.44  -0.29
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1414.3936              1498.0989              1501.6765
 Red. masses --      1.4122                 1.0424                 1.0582
 Frc consts  --      1.6645                 1.3783                 1.4059
 IR Inten    --    216.1815                 6.6874                 8.1589
 RamAct Fr= 1--      1.6361                 4.2640                 3.3799
  Dep-P Fr= 1--      0.2073                 0.7499                 0.7490
  Dep-U Fr= 1--      0.3434                 0.8571                 0.8565
 Alpha2 Fr= 1--      0.0218                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0936                 0.6091                 0.4825
 AlphaG Fr= 1--      0.0145                 0.0011                 0.0008
 Gamma2 Fr= 1--      0.0054                -0.8139                 0.0023
 Delta2 Fr= 1--     -0.1890                 0.1587                -0.2615
 Raman1 Fr= 1--       6.544                 17.056                 13.519
 ROA1   Fr= 1--      -5.525                -73.053                 -8.150
 CID1   Fr= 1--      -0.844                 -4.283                 -0.603
 Raman2 Fr= 1--       1.124                  7.309                  5.790
 ROA2   Fr= 1--       1.643                -20.803                  2.147
 CID2   Fr= 1--       1.462                 -2.846                  0.371
 Raman3 Fr= 1--       2.247                 14.618                 11.579
 ROA3   Fr= 1--      -5.525                -73.053                 -8.150
 CID3   Fr= 1--      -2.458                 -4.997                 -0.704
 RC180  Fr= 1--      -0.313                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.06    -0.01  -0.03   0.04    -0.05  -0.01  -0.01
     2   6     0.03  -0.03   0.00    -0.01  -0.02   0.01    -0.04  -0.01  -0.00
     3   6    -0.06   0.08  -0.06     0.01  -0.00   0.00     0.01  -0.01   0.01
     4   8    -0.01  -0.04   0.02    -0.00  -0.00   0.00     0.00   0.01  -0.00
     5   7    -0.01  -0.00   0.01     0.00   0.00  -0.00     0.01   0.00   0.00
     6   8     0.07  -0.04   0.04    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   1     0.06   0.08   0.04    -0.01   0.06   0.04     0.06   0.01  -0.01
     8   1     0.00   0.30   0.26     0.20   0.53  -0.38     0.05  -0.17  -0.41
     9   1    -0.09   0.39   0.10     0.38  -0.28  -0.07     0.57   0.35   0.09
    10   1    -0.27   0.15   0.34    -0.46   0.23  -0.19     0.16  -0.08   0.54
    11   1    -0.01   0.00   0.02     0.01   0.02   0.02     0.00   0.03  -0.02
    12   1     0.06   0.06  -0.03     0.03   0.01  -0.01    -0.01  -0.01   0.01
    13   1    -0.31   0.46  -0.32    -0.00   0.00   0.01     0.01  -0.02   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1659.3199              1842.0558              3035.7013
 Red. masses --      1.0924                 9.5048                 1.0458
 Frc consts  --      1.7721                19.0020                 5.6782
 IR Inten    --     38.7651               320.7162                10.8740
 RamAct Fr= 1--      2.9178                13.0715               212.3863
  Dep-P Fr= 1--      0.6259                 0.2984                 0.0241
  Dep-U Fr= 1--      0.7699                 0.4596                 0.0472
 Alpha2 Fr= 1--      0.0066                 0.1347                 4.4600
 Beta2  Fr= 1--      0.3744                 1.0014                 1.6692
 AlphaG Fr= 1--     -0.0160                 0.0065                 0.3530
 Gamma2 Fr= 1--     -0.5753                 0.1237                 1.0827
 Delta2 Fr= 1--     -0.2347                -0.2687                 0.5644
 Raman1 Fr= 1--      11.671                 52.286                849.545
 ROA1   Fr= 1--     -62.735                  3.282                122.005
 CID1   Fr= 1--      -5.375                  0.063                  0.144
 Raman2 Fr= 1--       4.493                 12.016                 20.030
 ROA2   Fr= 1--     -11.928                  5.119                 21.471
 CID2   Fr= 1--      -2.655                  0.426                  1.072
 Raman3 Fr= 1--       8.986                 24.033                 40.060
 ROA3   Fr= 1--     -62.735                  3.282                122.005
 CID3   Fr= 1--      -6.981                  0.137                  3.046
 RC180  Fr= 1--       0.540                 -0.081                 -0.906
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01   0.01     0.03  -0.01  -0.04
     2   6    -0.02   0.01  -0.02    -0.04  -0.02   0.00     0.00  -0.01   0.03
     3   6     0.00  -0.01   0.01     0.50   0.48  -0.16    -0.00  -0.00   0.00
     4   8     0.00   0.00  -0.00    -0.31  -0.30   0.10     0.00   0.00  -0.00
     5   7    -0.05  -0.05  -0.01    -0.01  -0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00   0.00  -0.00    -0.06  -0.03   0.00     0.00  -0.00   0.00
     7   1     0.04   0.02  -0.02     0.16   0.03  -0.02    -0.02   0.13  -0.39
     8   1    -0.01  -0.04  -0.00    -0.00  -0.07  -0.05    -0.52   0.09  -0.15
     9   1    -0.02   0.00   0.01     0.01  -0.00   0.01     0.03  -0.21   0.61
    10   1     0.03  -0.02  -0.01     0.06  -0.02  -0.00     0.17   0.28  -0.03
    11   1     0.19   0.52   0.44    -0.00  -0.01   0.03    -0.00  -0.00  -0.00
    12   1     0.66   0.19  -0.15     0.01   0.01  -0.00    -0.00   0.00   0.01
    13   1     0.01  -0.02   0.00     0.30  -0.34   0.24    -0.00   0.00  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   3040.1381              3097.6657              3133.8202
 Red. masses --      1.0751                 1.1028                 1.0995
 Frc consts  --      5.8546                 6.2347                 6.3622
 IR Inten    --     22.9439                23.5526                 6.6228
 RamAct Fr= 1--     38.6987                48.7748                47.0753
  Dep-P Fr= 1--      0.7197                 0.6514                 0.5800
  Dep-U Fr= 1--      0.8370                 0.7889                 0.7342
 Alpha2 Fr= 1--      0.0202                 0.0862                 0.1501
 Beta2  Fr= 1--      5.3983                 6.4134                 5.7603
 AlphaG Fr= 1--     -0.0083                 0.1120                -0.0935
 Gamma2 Fr= 1--      1.0443                 2.2718                -2.2840
 Delta2 Fr= 1--     -0.0767                 2.5842                -1.7043
 Raman1 Fr= 1--     154.795                195.099                188.301
 ROA1   Fr= 1--      97.801                300.784               -273.800
 CID1   Fr= 1--       0.632                  1.542                 -1.454
 Raman2 Fr= 1--      64.780                 76.961                 69.124
 ROA2   Fr= 1--      25.677                 33.849                -41.181
 CID2   Fr= 1--       0.396                  0.440                 -0.596
 Raman3 Fr= 1--     129.560                153.922                138.247
 ROA3   Fr= 1--      97.801                300.784               -273.800
 CID3   Fr= 1--       0.755                  1.954                 -1.981
 RC180  Fr= 1--       0.674                  0.578                  0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.00    -0.06   0.03  -0.07    -0.06  -0.07   0.02
     2   6    -0.00   0.02  -0.07    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1     0.05  -0.28   0.84     0.01  -0.05   0.15    -0.00   0.01  -0.04
     8   1    -0.36   0.06  -0.10     0.67  -0.11   0.18     0.23  -0.05   0.07
     9   1     0.01  -0.05   0.17     0.01  -0.22   0.65    -0.02   0.08  -0.26
    10   1     0.11   0.17  -0.02    -0.00   0.02  -0.02     0.47   0.79  -0.06
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3453.6614              3510.3946              3587.2423
 Red. masses --      1.0641                 1.0494                 1.0949
 Frc consts  --      7.4779                 7.6193                 8.3011
 IR Inten    --    246.2172                 0.7138                 9.6433
 RamAct Fr= 1--     72.3435               113.1516                46.2728
  Dep-P Fr= 1--      0.0873                 0.0840                 0.7417
  Dep-U Fr= 1--      0.1605                 0.1549                 0.8517
 Alpha2 Fr= 1--      1.3065                 2.0599                 0.0065
 Beta2  Fr= 1--      1.9356                 2.9220                 6.5684
 AlphaG Fr= 1--      0.0029                -0.2461                -0.0471
 Gamma2 Fr= 1--      0.0057                 2.0695                -6.0659
 Delta2 Fr= 1--     -1.3401                 2.9697                -0.8038
 Raman1 Fr= 1--     289.374                452.606                185.091
 ROA1   Fr= 1--     -42.334                293.704               -608.051
 CID1   Fr= 1--      -0.146                  0.649                 -3.285
 Raman2 Fr= 1--      23.227                 35.064                 78.821
 ROA2   Fr= 1--      10.858                 25.911               -139.152
 CID2   Fr= 1--       0.467                  0.739                 -1.765
 Raman3 Fr= 1--      46.454                 70.129                157.642
 ROA3   Fr= 1--     -42.334                293.704               -608.051
 CID3   Fr= 1--      -0.911                  4.188                 -3.857
 RC180  Fr= 1--      -0.679                 -0.690                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.01  -0.00  -0.00    -0.04  -0.03  -0.03    -0.05   0.03   0.06
     6   8    -0.05  -0.03   0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
     7   1    -0.00  -0.01   0.01     0.00   0.00   0.01    -0.00   0.00  -0.01
     8   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   1     0.09  -0.01  -0.03     0.61  -0.07  -0.24     0.70  -0.08  -0.24
    12   1    -0.00   0.04   0.07    -0.02   0.40   0.62    -0.01  -0.35  -0.56
    13   1     0.81   0.56  -0.11    -0.10  -0.07   0.01    -0.02  -0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Molecular mass:    89.04768 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   361.21667 561.13343 778.07344
           X            0.99918  -0.04047  -0.00213
           Y            0.04053   0.99832   0.04146
           Z            0.00045  -0.04151   0.99914
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.23978     0.15436     0.11132
 Rotational constants (GHZ):           4.99628     3.21624     2.31950
 Zero-point vibrational energy     284278.0 (Joules/Mol)
                                   67.94406 (Kcal/Mol)
 Warning -- explicit consideration of   7 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.24   345.27   368.38   406.81   487.80
          (Kelvin)            565.05   766.03   919.39  1071.54  1154.21
                             1216.97  1257.86  1354.50  1461.68  1525.38
                             1628.21  1736.10  1830.95  1922.65  1958.79
                             2024.59  2035.00  2155.43  2160.58  2387.39
                             2650.31  4367.70  4374.08  4456.85  4508.87
                             4969.05  5050.67  5161.24
 
 Zero-point correction=                           0.108276 (Hartree/Particle)
 Thermal correction to Energy=                    0.114858
 Thermal correction to Enthalpy=                  0.115802
 Thermal correction to Gibbs Free Energy=         0.078008
 Sum of electronic and zero-point Energies=           -323.796661
 Sum of electronic and thermal Energies=              -323.790078
 Sum of electronic and thermal Enthalpies=            -323.789134
 Sum of electronic and thermal Free Energies=         -323.826929
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.074             23.295             79.545
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.372
 Rotational               0.889              2.981             26.558
 Vibrational             70.297             17.333             13.615
 Vibration     1          0.598              1.968              4.124
 Vibration     2          0.657              1.779              1.803
 Vibration     3          0.666              1.753              1.689
 Vibration     4          0.682              1.706              1.517
 Vibration     5          0.719              1.597              1.217
 Vibration     6          0.760              1.486              0.990
 Vibration     7          0.887              1.178              0.582
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.131520D-35        -35.881009        -82.619077
 Total V=0       0.836255D+14         13.922339         32.057369
 Vib (Bot)       0.280111D-48        -48.552670       -111.796654
 Vib (Bot)    1  0.290185D+01          0.462675          1.065348
 Vib (Bot)    2  0.817096D+00         -0.087727         -0.201998
 Vib (Bot)    3  0.760083D+00         -0.119139         -0.274328
 Vib (Bot)    4  0.678993D+00         -0.168134         -0.387144
 Vib (Bot)    5  0.548017D+00         -0.261206         -0.601450
 Vib (Bot)    6  0.456240D+00         -0.340806         -0.784735
 Vib (Bot)    7  0.299708D+00         -0.523302         -1.204948
 Vib (V=0)       0.178106D+02          1.250678          2.879792
 Vib (V=0)    1  0.344461D+01          0.537140          1.236810
 Vib (V=0)    2  0.145794D+01          0.163739          0.377024
 Vib (V=0)    3  0.140979D+01          0.149156          0.343444
 Vib (V=0)    4  0.134323D+01          0.128149          0.295075
 Vib (V=0)    5  0.124184D+01          0.094065          0.216592
 Vib (V=0)    6  0.117687D+01          0.070729          0.162860
 Vib (V=0)    7  0.108294D+01          0.034606          0.079684
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.330284D+08          7.518888         17.312879
 Rotational      0.142159D+06          5.152773         11.864698
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3           3333                                         1      1   11  1111 1  1 1  1 1                                   
     5  5 4           1000                                         8      6   54  4433 2  2 1  0 0 9  888 7   6   5    33 222        
     8  1 5           3943                                         4      5   09  1063 7  0 3  6 1 4  740 4   3   3    93 854     7  
     7  0 4           4806                                         2      9   28  4716 3  7 2  0 6 1  462 5   9   2    39 360     1  
 
     X  X X           XXXX                                         X      X   XX  XXXX X  X X  X X X  XXX X   X   X    XX XXX     X  
          X                                                        X      X       XXX          X   X  XX                  X          
          X                                                        X              XX                  XX                             
          X                                                        X              XX                  XX                             
          X                                                        X              XX                  XX                             
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X                                                                 
          X                                                        X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001164   -0.000000886    0.000001415
      2        6           0.000016490    0.000020053    0.000004374
      3        6          -0.000007848    0.000042400   -0.000024156
      4        8          -0.000004338   -0.000006686   -0.000000567
      5        7           0.000011045   -0.000025000    0.000006469
      6        8          -0.000010862   -0.000025158    0.000015845
      7        1          -0.000005428   -0.000000338    0.000000884
      8        1          -0.000001419   -0.000002172    0.000001096
      9        1          -0.000001571    0.000003068   -0.000002079
     10        1           0.000000703    0.000000149   -0.000002611
     11        1          -0.000004210    0.000003792    0.000000261
     12        1          -0.000001060    0.000001901   -0.000004464
     13        1           0.000007333   -0.000011123    0.000003533
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000042400 RMS     0.000011661
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.560449D+00
      2  0.390114D-01  0.528359D+00
      3  0.257305D-01 -0.484977D-01  0.523877D+00
      4 -0.956741D-01  0.181657D-01  0.230134D-01  0.449421D+00
      5  0.367352D-01 -0.117455D+00 -0.422128D-01  0.506987D-02  0.477556D+00
      6  0.362255D-01 -0.383800D-01 -0.117902D+00 -0.258494D-02 -0.518976D-01
      7 -0.197095D-01  0.178730D-01  0.671031D-02 -0.137951D+00  0.547164D-02
      8  0.246513D-01 -0.482219D-02  0.560729D-02  0.278348D-01 -0.726638D-01
      9  0.231860D-01 -0.140194D-02  0.829652D-02 -0.238542D-01 -0.377183D-02
     10  0.521506D-03 -0.381037D-02 -0.189045D-02 -0.271805D-01 -0.308966D-01
     11 -0.739015D-03 -0.305251D-02 -0.217968D-02 -0.150939D-01  0.295821D-02
     12 -0.283159D-02 -0.275400D-03 -0.213304D-03 -0.177216D-02  0.275395D-02
     13  0.499935D-02  0.974924D-02 -0.215037D-02 -0.103127D+00 -0.642390D-01
     14 -0.170145D-01 -0.343644D-01 -0.565609D-03 -0.279652D-01 -0.164781D+00
     15 -0.115233D-01 -0.230453D-01  0.217886D-02  0.167306D-01 -0.521200D-02
     16 -0.107439D-02 -0.381690D-03 -0.218114D-02 -0.108058D-01  0.234136D-01
     17 -0.155777D-03  0.182825D-02  0.114377D-02  0.421169D-02 -0.160925D-01
     18 -0.470625D-02 -0.507752D-03 -0.435883D-02 -0.939478D-02  0.221661D-01
     19  0.100633D-02 -0.305459D-02  0.146393D-01 -0.502546D-01  0.340778D-02
     20 -0.697502D-03  0.674794D-02 -0.246419D-01  0.445224D-02 -0.691881D-01
     21 -0.814681D-03  0.356653D-02 -0.204071D-01 -0.177092D-01  0.747975D-01
     22 -0.281579D+00  0.409734D-01 -0.659513D-01 -0.145814D-01  0.172700D-02
     23  0.401166D-01 -0.539943D-01  0.128690D-01  0.242346D-01 -0.749459D-02
     24 -0.680543D-01  0.124323D-01 -0.663586D-01  0.229069D-01 -0.533432D-02
     25 -0.492184D-01  0.328751D-02 -0.896851D-02 -0.127825D-02 -0.493158D-02
     26  0.236920D-02 -0.747641D-01  0.803155D-01 -0.606825D-04  0.625680D-02
     27 -0.807778D-02  0.785230D-01 -0.279549D+00  0.158661D-02  0.566729D-02
     28 -0.119652D+00 -0.122256D+00  0.101919D-01  0.652159D-02  0.115959D-01
     29 -0.117696D+00 -0.244759D+00  0.164585D-01 -0.106863D-01 -0.189200D-01
     30  0.112882D-01  0.185693D-01 -0.486029D-01 -0.118613D-01 -0.165290D-01
     31  0.277090D-02  0.188198D-02  0.458267D-03 -0.154162D-01  0.493498D-02
     32 -0.170575D-02  0.241419D-02  0.916698D-04 -0.338057D-01  0.656224D-03
     33 -0.115046D-02 -0.187741D-02  0.183167D-02  0.410841D-02  0.391169D-02
     34 -0.111072D-02 -0.387599D-03  0.769839D-03 -0.329065D-03 -0.442098D-02
     35 -0.466462D-02 -0.549700D-02  0.152519D-02  0.381286D-03 -0.184367D-01
     36  0.498649D-03  0.124844D-02  0.244973D-03 -0.646518D-03  0.112314D-01
     37 -0.172818D-02 -0.105210D-02 -0.371777D-03  0.654387D-03  0.121324D-01
     38 -0.210102D-03 -0.641168D-03  0.867469D-04  0.326164D-02 -0.239523D-02
     39  0.229457D-03 -0.353940D-03  0.962391D-03 -0.522844D-03  0.442960D-02
                6             7             8             9            10 
      6  0.572846D+00
      7 -0.194268D-01  0.739504D+00
      8 -0.230330D-02  0.260050D+00  0.717733D+00
      9 -0.960729D-01 -0.410551D-01 -0.208645D+00  0.335275D+00
     10  0.932502D-02 -0.428298D+00 -0.300762D+00  0.919644D-01  0.441275D+00
     11  0.811933D-02 -0.311842D+00 -0.384627D+00  0.104719D+00  0.363061D+00
     12  0.165181D-01  0.971746D-01  0.106351D+00 -0.115222D+00 -0.115269D+00
     13  0.295704D-01 -0.214668D-01 -0.246705D-01 -0.859476D-03 -0.107825D-01
     14  0.204497D-01 -0.821869D-02 -0.108228D-01  0.437226D-03 -0.166040D-02
     15 -0.878021D-01 -0.192594D-02  0.478769D-02 -0.996432D-03  0.136792D-02
     16 -0.222509D-01 -0.149029D+00  0.285125D-01 -0.350012D-01  0.269225D-01
     17  0.204211D-01  0.765286D-01 -0.193140D+00  0.910266D-01 -0.271386D-01
     18  0.793529D-02 -0.612742D-01  0.807043D-01 -0.113095D+00  0.176107D-01
     19 -0.192824D-01 -0.212651D-02  0.967707D-02 -0.337060D-01  0.439914D-03
     20  0.745080D-01  0.304952D-02 -0.218734D-02  0.803205D-02 -0.827161D-03
     21 -0.277109D+00  0.728953D-03  0.495704D-02 -0.934757D-02 -0.249128D-03
     22 -0.278767D-02  0.142636D-02  0.814352D-03  0.324797D-02 -0.407820D-03
     23  0.423867D-02 -0.224273D-02 -0.356699D-02 -0.379835D-02  0.969923D-03
     24  0.373795D-02 -0.896958D-03 -0.345841D-02 -0.341758D-02  0.786540D-03
     25  0.146461D-01  0.135627D-02 -0.117048D-02  0.171035D-02 -0.653554D-03
     26 -0.240707D-01 -0.129055D-02  0.134335D-02 -0.238631D-03 -0.830574D-04
     27 -0.211518D-01 -0.195481D-02  0.121756D-02 -0.794758D-03  0.688124D-03
     28 -0.261241D-02  0.757642D-03  0.182719D-02 -0.756104D-03 -0.547325D-03
     29  0.358232D-02 -0.262340D-02 -0.287859D-02  0.101332D-02  0.457655D-03
     30  0.158670D-02 -0.586394D-03 -0.522573D-03  0.909177D-03 -0.165404D-03
     31 -0.738830D-03  0.109714D-02 -0.239025D-02  0.129542D-02 -0.220295D-02
     32  0.116608D-01  0.836646D-03 -0.637440D-02  0.288192D-02 -0.250647D-02
     33 -0.456551D-02 -0.178495D-02  0.529688D-03 -0.151773D-02 -0.124949D-02
     34 -0.159644D-01  0.412098D-03 -0.321361D-02 -0.350815D-03 -0.921065D-03
     35 -0.290751D-01  0.243167D-05 -0.796591D-03 -0.259547D-03 -0.179899D-03
     36  0.498207D-02 -0.150475D-03 -0.160099D-02  0.272185D-03  0.122847D-03
     37 -0.411863D-02  0.140269D-01 -0.211609D-01  0.141788D-01  0.183521D-02
     38  0.274677D-02 -0.375945D-01 -0.371965D-01  0.100051D-01  0.337616D-02
     39 -0.300279D-02  0.244417D-01  0.123752D-01 -0.428908D-02 -0.304167D-02
               11            12            13            14            15 
     11  0.457067D+00
     12 -0.157169D+00  0.950587D-01
     13 -0.435375D-02  0.767549D-03  0.577479D+00
     14  0.235514D-02 -0.295639D-03  0.635867D-01  0.410176D+00
     15 -0.181746D-02  0.260672D-02 -0.152347D+00  0.204758D+00  0.469734D+00
     16 -0.426883D-01  0.262795D-01 -0.180993D-01  0.269298D-02 -0.637952D-02
     17 -0.774144D-01  0.443804D-01 -0.119441D-01  0.675786D-02 -0.412182D-02
     18  0.411179D-01 -0.375856D-02 -0.122274D-02  0.513389D-03  0.456193D-02
     19  0.371480D-03  0.364106D-02 -0.947111D-03 -0.117487D-01  0.169965D-01
     20  0.305041D-03 -0.153853D-02 -0.514445D-02 -0.204801D-01  0.262623D-01
     21 -0.129726D-02  0.232149D-02  0.148010D-02  0.258115D-02  0.289192D-02
     22  0.196080D-03 -0.377174D-03  0.178209D-02 -0.825651D-03 -0.206970D-03
     23  0.153325D-02  0.597457D-03  0.640189D-03  0.240254D-02  0.176759D-03
     24  0.726363D-03  0.522819D-03  0.981642D-04  0.178309D-02  0.269262D-03
     25  0.598701D-04 -0.401066D-03  0.190513D-03 -0.421136D-03 -0.111760D-02
     26  0.861572D-04  0.523108D-04  0.110900D-03  0.218241D-02  0.718070D-03
     27 -0.138958D-03  0.270958D-03 -0.344934D-03  0.728519D-03  0.199700D-02
     28 -0.323562D-03 -0.126365D-04 -0.730117D-03  0.258874D-02  0.214552D-02
     29  0.227245D-02  0.165925D-03  0.177390D-02 -0.234411D-02 -0.419019D-02
     30  0.547027D-03 -0.451021D-03  0.181930D-02 -0.370472D-02 -0.199069D-02
     31 -0.104788D-02  0.190697D-04 -0.384646D+00  0.291168D-01  0.137962D+00
     32  0.313490D-03 -0.772619D-03  0.474960D-01 -0.534599D-01 -0.408491D-01
     33 -0.103188D-02  0.648598D-03  0.998909D-01 -0.290754D-01 -0.637677D-01
     34  0.387371D-03  0.255584D-03 -0.506859D-01 -0.280652D-01 -0.557394D-02
     35 -0.753917D-04  0.369383D-03 -0.136311D-01 -0.132207D+00 -0.156284D+00
     36  0.359025D-03 -0.309661D-03  0.183224D-01 -0.195113D+00 -0.323069D+00
     37  0.120133D-01 -0.747329D-02  0.603302D-02 -0.206582D-02  0.387171D-02
     38 -0.172187D-02  0.538057D-02  0.625953D-03 -0.541436D-02 -0.118269D-02
     39  0.804580D-02  0.200743D-02  0.497556D-02 -0.249692D-02 -0.661445D-02
               16            17            18            19            20 
     16  0.483601D+00
     17  0.122018D+00  0.404096D+00
     18  0.392701D-01 -0.168951D+00  0.135054D+00
     19 -0.550254D-02  0.398707D-02  0.184888D-03  0.572173D-01
     20  0.176248D-02  0.849562D-03 -0.566179D-03 -0.244680D-02  0.856019D-01
     21 -0.159201D-02 -0.183991D-03  0.263743D-03  0.154302D-01 -0.819194D-01
     22 -0.255078D-03  0.744234D-03 -0.726431D-03  0.517176D-03 -0.388113D-03
     23  0.694227D-03 -0.365163D-03  0.136476D-02 -0.104295D-02  0.951075D-03
     24  0.951225D-03 -0.672525D-03  0.172250D-02 -0.782390D-04  0.103491D-02
     25 -0.861133D-04  0.880618D-04 -0.539976D-03 -0.328341D-03  0.232693D-02
     26 -0.197080D-03 -0.238256D-03  0.138920D-03  0.198246D-02 -0.305857D-02
     27  0.489219D-03 -0.882175D-03  0.955924D-03  0.193198D-02 -0.330931D-02
     28 -0.195970D-03 -0.392072D-03  0.557719D-03  0.499259D-03 -0.434125D-03
     29  0.639322D-03  0.826376D-03 -0.494141D-03 -0.105004D-03  0.824768D-03
     30  0.153742D-03  0.389671D-03 -0.879678D-04 -0.596102D-03  0.521071D-03
     31 -0.393622D-03 -0.331712D-04 -0.629271D-03  0.123687D-03  0.801240D-03
     32  0.165229D-02  0.224819D-02  0.447821D-03 -0.124682D-02 -0.193085D-02
     33 -0.341481D-02 -0.221225D-02 -0.768484D-03  0.120746D-02  0.115411D-02
     34 -0.183105D-02  0.131875D-02  0.787720D-03  0.596208D-03 -0.660169D-03
     35  0.150498D-02 -0.298556D-03 -0.758967D-03  0.146664D-02  0.221104D-02
     36 -0.836890D-03  0.102435D-02  0.593428D-03 -0.251422D-05  0.692359D-03
     37 -0.323251D+00 -0.169233D+00  0.200824D-01 -0.124080D-02 -0.179408D-02
     38 -0.139623D+00 -0.129057D+00  0.248246D-01 -0.124766D-02 -0.646333D-03
     39  0.451270D-02  0.186375D-01 -0.290181D-01 -0.366068D-03 -0.229454D-03
               21            22            23            24            25 
     21  0.298577D+00
     22  0.323976D-03  0.306885D+00
     23  0.487868D-03 -0.471483D-01  0.564758D-01
     24  0.124411D-02  0.713182D-01 -0.103569D-01  0.691509D-01
     25  0.181616D-02  0.511726D-03  0.999566D-02 -0.295394D-01  0.487674D-01
     26 -0.310500D-02 -0.247645D-03 -0.245514D-02  0.397720D-02 -0.518837D-02
     27 -0.814158D-03 -0.338819D-03  0.230840D-02 -0.678292D-02  0.643921D-02
     28 -0.291946D-03 -0.144373D-01 -0.259655D-01  0.271808D-02  0.662800D-03
     29 -0.174333D-03  0.326417D-02  0.684052D-02 -0.691045D-03 -0.411826D-02
     30  0.374573D-03 -0.429984D-02 -0.811186D-02 -0.235810D-03  0.163256D-01
     31 -0.143132D-03  0.305628D-03 -0.705004D-03 -0.673338D-03 -0.179508D-04
     32  0.313607D-03  0.105530D-02 -0.871977D-03  0.352570D-03 -0.659915D-04
     33 -0.142553D-03 -0.208353D-03  0.284752D-03  0.522596D-03 -0.652619D-03
     34  0.723583D-03  0.235537D-03 -0.173066D-03  0.106727D-03 -0.183030D-03
     35  0.413390D-03  0.620857D-04  0.272877D-03  0.134698D-03 -0.153149D-03
     36  0.196827D-02  0.347080D-04 -0.167525D-04 -0.651958D-04  0.184370D-04
     37  0.297061D-03 -0.402220D-03  0.626320D-03  0.356395D-03  0.276911D-03
     38 -0.437111D-03 -0.226916D-03  0.272083D-03  0.721012D-04  0.290942D-03
     39  0.178703D-03 -0.283433D-04 -0.437772D-04 -0.310036D-03  0.263345D-03
               26            27            28            29            30 
     26  0.779937D-01
     27 -0.842900D-01  0.307186D+00
     28  0.272286D-02 -0.839832D-05  0.126425D+00
     29 -0.748942D-02  0.641211D-03  0.129389D+00  0.266566D+00
     30  0.264117D-01 -0.842803D-03 -0.121140D-01 -0.164601D-01  0.498584D-01
     31 -0.526466D-03 -0.566611D-03 -0.595904D-04  0.644193D-03  0.307467D-03
     32  0.558889D-05 -0.383319D-03  0.436254D-03  0.212235D-03  0.234325D-03
     33  0.444882D-04 -0.587866D-03  0.116377D-03 -0.184020D-03 -0.934590D-03
     34  0.143295D-03 -0.746069D-04  0.527307D-03 -0.289275D-03 -0.669776D-04
     35  0.289146D-03  0.119197D-03  0.869606D-03 -0.120458D-02 -0.124901D-02
     36  0.171845D-03  0.436044D-03  0.556634D-04  0.480510D-03  0.626395D-03
     37  0.265136D-03  0.230818D-03  0.228469D-03 -0.649386D-03 -0.204225D-03
     38 -0.151714D-03 -0.201427D-03 -0.582308D-04  0.540185D-04 -0.957416D-04
     39 -0.125690D-03 -0.323328D-03  0.102866D-04 -0.147925D-03 -0.209440D-03
               31            32            33            34            35 
     31  0.398035D+00
     32 -0.323111D-01  0.594308D-01
     33 -0.133488D+00  0.321541D-01  0.784434D-01
     34  0.102040D-02  0.214025D-01  0.341339D-01  0.510040D-01
     35  0.186977D-03 -0.219862D-02 -0.359156D-02  0.156565D-01  0.156629D+00
     36 -0.527307D-02 -0.397914D-02 -0.121445D-01 -0.121369D-01  0.187057D+00
     37 -0.616471D-03 -0.123723D-02  0.249213D-02  0.126526D-02 -0.150174D-02
     38 -0.552340D-03 -0.445005D-03 -0.106378D-03 -0.169849D-02  0.131258D-02
     39  0.147066D-02 -0.215268D-02  0.298257D-02 -0.260963D-02  0.160002D-02
               36            37            38            39 
     36  0.328761D+00
     37 -0.633851D-05  0.302918D+00
     38 -0.155470D-02  0.173657D+00  0.176031D+00
     39 -0.229640D-02 -0.293351D-01 -0.395378D-01  0.399326D-01
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.600111D+02  0.220795D+01 -0.239062D+00
      2   0.220795D+01  0.582427D+02 -0.250813D+01
      3  -0.239062D+00 -0.250813D+01  0.476352D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.289259D+01 -0.202394D+01 -0.688883D+01
      2   0.232194D-01 -0.579703D+01 -0.171045D+02
      3  -0.430125D+00  0.119503D+02  0.279527D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.372719D+02  0.330570D+01 -0.385227D+01
      2   0.187709D+02  0.811181D+01  0.318693D+01
      3   0.185010D+02 -0.114175D+02  0.665333D+00
      4   0.212794D+02 -0.258491D+02 -0.180393D+02
      5  -0.149195D+01 -0.178491D+02 -0.332563D+02
      6  -0.107535D+02  0.440303D+01  0.780081D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.596449D+01 -0.214346D+01  0.152573D+01 -0.913286D+00 -0.309218D+01
      2  -0.214346D+01 -0.317328D+01 -0.835959D+00 -0.309218D+01 -0.251573D+01
      3   0.152573D+01 -0.835959D+00 -0.378116D+00 -0.104928D+01  0.960600D+00
                 6             7             8             9            10 
      1  -0.104928D+01  0.299480D+01 -0.130241D+01 -0.336219D+00 -0.343436D+01
      2   0.960600D+00 -0.130241D+01  0.143106D+01  0.212517D+01  0.536189D+00
      3   0.242913D+01 -0.336219D+00  0.212517D+01 -0.519152D+01 -0.882081D+00
                11            12            13            14            15 
      1   0.536189D+00 -0.882081D+00 -0.231359D+00  0.245181D+01  0.138371D+01
      2   0.253087D+01  0.689097D+00  0.245181D+01  0.906309D+00  0.418204D-01
      3   0.689097D+00  0.492546D+00  0.138371D+01  0.418204D-01 -0.266364D+01
                16            17            18            19            20 
      1  -0.222996D+01  0.874688D+00  0.353539D+00  0.357284D+00 -0.190294D+01
      2   0.874688D+00 -0.230335D+00 -0.331205D+01 -0.190294D+01 -0.245831D+01
      3   0.353539D+00 -0.331205D+01  0.518009D+01  0.163511D+01  0.104896D+01
                21            22            23            24            25 
      1   0.163511D+01 -0.369393D+01 -0.298216D+01  0.949839D+00  0.240547D+01
      2   0.104896D+01 -0.298216D+01 -0.163055D+01  0.813066D-01  0.122893D+01
      3  -0.285656D+00  0.949839D+00  0.813066D-01 -0.112399D+00 -0.357101D+00
                26            27            28            29            30 
      1   0.122893D+01 -0.357101D+00  0.863162D+01  0.402880D+01 -0.201878D+01
      2  -0.259305D+00  0.446960D+00  0.402880D+01  0.368591D+01 -0.102350D+01
      3   0.446960D+00 -0.612006D+00 -0.201878D+01 -0.102350D+01  0.183509D+01
                31            32            33            34            35 
      1   0.467978D+01  0.366969D+01 -0.634806D+00 -0.184627D+01 -0.526174D+00
      2   0.366969D+01  0.712604D+01 -0.124602D+01 -0.526174D+00 -0.856789D+00
      3  -0.634806D+00 -0.124602D+01  0.191149D+01  0.279497D+01  0.216876D+01
                36            37            38            39            40 
      1   0.279497D+01  0.462569D+01 -0.583583D+00 -0.644675D+00 -0.984403D+00
      2   0.216876D+01 -0.583583D+00 -0.891075D+00  0.433332D+00 -0.113920D+01
      3  -0.231279D+01 -0.644675D+00  0.433332D+00 -0.137115D+00  0.189765D+00
                41            42            43            44            45 
      1  -0.113920D+01  0.189765D+00 -0.652268D+00  0.734363D+00 -0.146494D+00
      2  -0.291291D+01  0.113971D+01  0.734363D+00  0.295634D+01  0.212220D+01
      3   0.113971D+01  0.203638D+01 -0.146494D+00  0.212220D+01  0.229688D+01
                46            47            48            49            50 
      1   0.618268D+01 -0.952781D+00  0.180118D+01  0.185719D+01  0.265180D+01
      2  -0.952781D+00  0.304640D+01 -0.946990D+00  0.265180D+01 -0.359691D+01
      3   0.180118D+01 -0.946990D+00  0.125405D+01 -0.140860D+00  0.725028D+00
                51            52            53            54            55 
      1  -0.140860D+00  0.351443D+00 -0.974873D+00  0.986717D+00  0.736364D-01
      2   0.725028D+00 -0.974873D+00  0.927414D+00 -0.176760D+01  0.332329D+00
      3  -0.667466D+00  0.986717D+00 -0.176760D+01  0.264676D+01 -0.965386D+00
                56            57            58            59            60 
      1   0.332329D+00 -0.965386D+00  0.609495D+00 -0.541598D+00 -0.114492D+00
      2  -0.511246D+00 -0.146743D+00 -0.541598D+00  0.169993D+01 -0.150647D+01
      3  -0.146743D+00 -0.369335D+00 -0.114492D+00 -0.150647D+01  0.211925D+01
                61            62            63            64            65 
      1  -0.126938D+01 -0.155833D+00 -0.316269D+00 -0.893150D+01  0.247361D+01
      2  -0.155833D+00 -0.219205D+01  0.201818D+01  0.247361D+01 -0.201191D+01
      3  -0.316269D+00  0.201818D+01 -0.780084D+01 -0.637694D+00  0.367278D-01
                66            67            68            69            70 
      1  -0.637694D+00  0.128481D+01 -0.121016D+01  0.241539D+00 -0.197351D+01
      2   0.367278D-01 -0.121016D+01  0.146745D+01 -0.297103D+00  0.552471D+00
      3  -0.143128D+01  0.241539D+00 -0.297103D+00  0.374925D-01 -0.108973D+01
                71            72            73            74            75 
      1   0.552471D+00 -0.108973D+01 -0.654603D+00  0.106613D+00  0.763822D+00
      2  -0.904385D+00  0.822101D-01  0.106613D+00  0.428807D+00  0.172335D+00
      3   0.822101D-01 -0.190821D+00  0.763822D+00  0.172335D+00  0.124311D+00
                76            77            78            79            80 
      1  -0.478398D+00  0.312211D+00  0.377965D+00  0.130616D+01 -0.656864D-01
      2   0.312211D+00 -0.571638D+00  0.752866D+00 -0.656864D-01  0.160038D+01
      3   0.377965D+00  0.752866D+00 -0.190021D+01 -0.716418D+00 -0.227868D+00
                81            82            83            84            85 
      1  -0.716418D+00  0.106680D+01  0.129810D+01 -0.137013D+00  0.179981D+01
      2  -0.227868D+00  0.129810D+01  0.290477D+01  0.425378D+00  0.152853D+01
      3   0.787326D+01 -0.137013D+00  0.425378D+00  0.834958D+00  0.789349D-01
                86            87            88            89            90 
      1   0.152853D+01  0.789349D-01 -0.383893D+00  0.252078D+00  0.325140D+00
      2   0.710977D+01  0.331783D+00  0.252078D+00 -0.364364D+00  0.729196D+00
      3   0.331783D+00  0.100132D+01  0.325140D+00  0.729196D+00  0.448326D+00
                91            92            93            94            95 
      1  -0.850090D+01 -0.139481D+01  0.986845D+00 -0.156706D+00 -0.574246D+00
      2  -0.139481D+01 -0.172669D+01 -0.163147D+00 -0.574246D+00 -0.183493D+00
      3   0.986845D+00 -0.163147D+00 -0.139370D+01 -0.314473D+00  0.151407D+00
                96            97            98            99           100 
      1  -0.314473D+00  0.257990D+01  0.407262D-02 -0.743907D+00 -0.434946D+00
      2   0.151407D+00  0.407262D-02  0.604269D+00 -0.307349D+00 -0.719674D+00
      3  -0.376341D-01 -0.743907D+00 -0.307349D+00  0.596512D+00 -0.512875D+00
               101           102           103           104           105 
      1  -0.719674D+00 -0.512875D+00 -0.113566D+01 -0.808248D+00 -0.725658D+00
      2  -0.238383D+00 -0.341330D+00 -0.808248D+00 -0.353737D+01 -0.208191D+01
      3  -0.341330D+00  0.189331D+00 -0.725658D+00 -0.208191D+01 -0.292859D+01
               106           107           108           109           110 
      1  -0.130610D+01 -0.811694D+00 -0.759819D+00 -0.494589D+01 -0.107839D+01
      2  -0.811694D+00 -0.360335D+01 -0.325348D+01 -0.107839D+01 -0.158587D+01
      3  -0.759819D+00 -0.325348D+01 -0.425392D+01 -0.914179D+00  0.651840D+00
               111           112           113           114           115 
      1  -0.914179D+00 -0.263734D+01 -0.266238D+00 -0.242176D+00  0.236281D-01
      2   0.651840D+00 -0.266238D+00 -0.336089D+01  0.946992D+00  0.190073D+00
      3  -0.735079D+00 -0.242176D+00  0.946992D+00 -0.122513D+01  0.558773D-02
               116           117 
      1   0.190073D+00  0.558773D-02
      2   0.891106D+00 -0.824332D+00
      3  -0.824332D+00  0.132007D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.374558D+01 -0.872874D+00  0.203368D-01  0.592697D+00 -0.463071D+01
      2  -0.519045D+01  0.332089D+01  0.219524D+01  0.322607D+01  0.438691D+00
      3   0.415754D+01 -0.978825D+01  0.942934D+00 -0.388838D+01 -0.100081D+02
                 6             7             8             9            10 
      1  -0.629102D+01 -0.246152D+00 -0.347496D+00  0.867482D+01  0.306038D+00
      2  -0.288019D+01 -0.246455D+01 -0.230136D+01  0.703645D+01 -0.400290D+01
      3  -0.576368D+00  0.154977D+01 -0.521082D-01  0.309177D+01 -0.241138D+01
                11            12            13            14            15 
      1  -0.801825D+00  0.165708D+01  0.755291D+00 -0.219584D+01  0.204244D+01
      2   0.173737D+01  0.277573D+01 -0.102797D+01  0.132559D+01  0.945401D+00
      3  -0.248932D+01 -0.215785D+01  0.240761D+01  0.432553D+01 -0.176998D+01
                16            17            18            19            20 
      1  -0.262270D+00  0.470593D+01 -0.588866D+00  0.211755D+01  0.306897D-01
      2  -0.502122D+01  0.210752D+01 -0.158425D+01  0.391540D+01 -0.310315D+01
      3  -0.992500D+00 -0.245396D+00 -0.160091D+01 -0.269762D+01  0.480082D+01
                21            22            23            24            25 
      1   0.215815D+01 -0.250603D+01  0.767783D+01  0.329087D+01 -0.286658D+01
      2  -0.613410D+01 -0.648714D+01  0.687512D+00 -0.297870D+01 -0.132410D+02
      3   0.128535D+01  0.718828D+01  0.488369D+01  0.113538D+01  0.508869D+01
                26            27            28            29            30 
      1   0.729650D+01 -0.761080D+01 -0.835895D+00 -0.195166D+01 -0.436894D+01
      2   0.108774D+01 -0.132409D+01  0.119106D+01  0.358038D-01  0.874054D+01
      3  -0.633048D-01  0.119951D+01  0.174522D+01 -0.107122D+02  0.107744D+01
                31            32            33            34            35 
      1   0.611336D+00 -0.298254D+01 -0.603984D+01  0.142553D+01  0.244518D+01
      2   0.374083D+01 -0.160377D+01  0.455517D+01  0.182157D+01  0.172152D+01
      3   0.199204D+01 -0.108902D+02  0.886027D+00 -0.147824D+01  0.122983D+01
                36            37            38            39            40 
      1   0.193833D+01 -0.178948D+01  0.207287D+01 -0.657116D+00  0.171275D+01
      2  -0.206415D+01  0.140176D+01 -0.126851D+01  0.313559D+01 -0.895649D+00
      3  -0.337714D+01 -0.103941D+02 -0.623448D+01  0.214324D+01  0.514680D+01
                41            42            43            44            45 
      1   0.495597D+01 -0.202916D+01  0.111017D+01  0.781384D+01  0.514975D+01
      2  -0.265035D+01 -0.248653D+01 -0.384795D+01 -0.353262D+01 -0.276016D+01
      3  -0.171224D+01  0.112984D+01  0.287553D+01  0.146476D+01  0.294770D+01
                46            47            48            49            50 
      1   0.286654D+01  0.258698D+01  0.332627D+01  0.296060D+01 -0.108206D+01
      2  -0.621207D+01 -0.223839D+01  0.488363D+01 -0.563482D+00  0.172004D+00
      3  -0.128931D+02 -0.956917D+01 -0.110525D+01 -0.399480D+01  0.822310D+00
                51            52            53            54            55 
      1  -0.407791D+01  0.238049D+01  0.144781D+01  0.347482D+01  0.126747D+00
      2  -0.827882D+00  0.107501D+01 -0.249937D+01  0.366034D+01  0.562972D+00
      3  -0.193273D+01 -0.248567D+01 -0.180559D+00  0.134784D+01  0.125526D+01
                56            57            58            59            60 
      1   0.215623D+00  0.187278D+00 -0.187835D+00 -0.738038D+00 -0.136885D+01
      2  -0.780883D-01  0.457667D+00  0.930418D+00  0.460109D+00 -0.119382D+01
      3  -0.111177D+01  0.659233D-01  0.137389D+01  0.400510D+00 -0.644646D+00
                61            62            63            64            65 
      1   0.651746D+00  0.257207D+01  0.318244D+01  0.135131D+01 -0.567826D+00
      2  -0.285617D+01 -0.140642D+01  0.377524D+01  0.458483D+01 -0.900066D+00
      3  -0.137929D+01 -0.136381D+01  0.502664D+00 -0.855312D+01 -0.282777D+01
                66            67            68            69            70 
      1   0.262515D+01 -0.749181D+00  0.797175D+00 -0.866845D+00  0.141961D+01
      2   0.519944D+01 -0.120008D+01  0.580191D+00 -0.423633D+00  0.106439D+01
      3  -0.123143D+01  0.155893D+01  0.785941D+00 -0.202019D+00 -0.129804D+01
                71            72            73            74            75 
      1   0.580889D+00  0.349526D+00 -0.107151D+01  0.360570D+00  0.134175D+00
      2   0.206849D-01  0.113860D+01 -0.700802D+00 -0.102281D+00  0.194339D+00
      3  -0.131968D+01 -0.146898D+01 -0.745436D+00 -0.153347D-01  0.101433D+01
                76            77            78            79            80 
      1   0.116461D+00 -0.233466D+01  0.195203D+01  0.630915D+00  0.436421D+01
      2   0.361802D+00 -0.118684D+01  0.238917D+01 -0.251405D+01  0.821896D+00
      3   0.645258D+00 -0.276120D+00  0.135256D+01  0.143795D+01  0.219056D+01
                81            82            83            84            85 
      1  -0.109053D+02  0.147561D+01  0.929739D+00 -0.202396D+01  0.868270D+00
      2  -0.101924D+02 -0.619182D+00 -0.103275D+01 -0.508450D-02 -0.113683D+01
      3  -0.145338D+01  0.533701D+01  0.464369D+01 -0.304178D+00  0.713048D+01
                86            87            88            89            90 
      1   0.333045D+01 -0.329967D+01 -0.700847D+00  0.134943D+00 -0.223971D+00
      2  -0.171360D+01 -0.743161D+00 -0.107940D+01 -0.688385D+00 -0.717754D+00
      3   0.114313D+02  0.501440D+00 -0.924107D+00  0.243933D+00  0.156429D+01
                91            92            93            94            95 
      1   0.283157D+01  0.196958D+00 -0.199372D+01 -0.386174D+00  0.627914D+00
      2  -0.212868D+01 -0.407596D+00  0.422702D+01  0.307383D+00 -0.579176D+00
      3   0.102905D+02 -0.303335D+01 -0.158605D+01 -0.159480D+00  0.121789D+01
                96            97            98            99           100 
      1  -0.169992D+00 -0.828016D+00 -0.121981D-01  0.740390D+00 -0.744984D-01
      2  -0.238201D+00  0.530024D+00  0.394132D+00 -0.145832D+01  0.277210D+00
      3   0.107158D+01 -0.428764D+01  0.179944D+01  0.269606D+00  0.590120D-01
               101           102           103           104           105 
      1  -0.143033D+00  0.330338D+00 -0.134841D+01 -0.200722D+01 -0.500873D+01
      2   0.336553D+00 -0.107923D+00  0.494074D+00  0.266468D+01  0.417455D+01
      3   0.930314D-02 -0.209073D+00  0.180423D+01 -0.357142D+01 -0.138310D+01
               106           107           108           109           110 
      1  -0.126352D+01 -0.242871D+01 -0.640648D+01 -0.355839D+01 -0.205621D+01
      2  -0.887084D+00  0.415743D+01  0.538991D+01  0.680143D+01  0.244626D+01
      3   0.133600D+01 -0.383030D+01 -0.331113D+01  0.137465D+02  0.720632D+01
               111           112           113           114           115 
      1  -0.139504D+01 -0.232036D+01 -0.164293D+00 -0.195069D+01 -0.347309D+00
      2  -0.174471D+01  0.225058D+01  0.140497D+01 -0.292167D+00 -0.258500D+01
      3   0.131879D+01  0.880061D+01  0.369494D+01  0.312513D+00  0.557539D+00
               116           117 
      1   0.548535D+00  0.971158D+00
      2  -0.986829D+00 -0.779894D+00
      3   0.126641D+00  0.288172D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.238037D+02  0.153935D+02 -0.356484D+01  0.142183D+02  0.102541D+02
      2   0.465936D+01 -0.144651D+02  0.581194D+00 -0.128456D+02 -0.140741D+02
      3   0.191443D+02 -0.928388D+00  0.298365D+01 -0.137266D+01  0.381994D+01
      4   0.194426D+02 -0.889255D+00  0.588936D+01  0.400427D+01 -0.427185D+01
      5  -0.306085D+01  0.122474D+01  0.243718D+01  0.179797D+01 -0.499975D+01
      6   0.415134D+01 -0.381676D+01 -0.810176D+00 -0.430990D+01  0.283911D+01
                 6             7             8             9            10 
      1  -0.211280D+01 -0.645264D+01 -0.902336D+00  0.263328D+01  0.735515D+01
      2  -0.157732D+01  0.137695D+00  0.419965D+00  0.131294D+02 -0.357876D+01
      3   0.369012D+01  0.631495D+01  0.482371D+00 -0.157627D+02 -0.377639D+01
      4  -0.412530D+01  0.937711D+01 -0.593171D+01 -0.802462D+01 -0.952508D+00
      5  -0.592547D+01  0.257838D+01 -0.630489D+01  0.118554D+02 -0.235246D+00
      6   0.715310D+01 -0.274061D+01  0.598132D+01 -0.501092D+01 -0.475648D+00
                11            12            13            14            15 
      1   0.236122D+01 -0.324156D+01 -0.597043D+01  0.296051D+01 -0.546645D+01
      2  -0.415496D+01  0.218513D+01  0.346572D+01 -0.304999D+01 -0.112636D+01
      3   0.179374D+01  0.105643D+01  0.250471D+01  0.894767D-01  0.659280D+01
      4  -0.285084D+01 -0.275232D+01 -0.115673D+02 -0.155872D+01  0.635653D+00
      5  -0.126019D+01 -0.877741D-01 -0.526692D+01  0.407575D+00  0.158807D+01
      6   0.329510D+01 -0.264438D+01 -0.265147D+00  0.420434D-01 -0.107978D+02
                16            17            18            19            20 
      1   0.359089D+01 -0.219668D+01  0.744447D+01 -0.158394D+02 -0.287288D+01
      2   0.939777D+00 -0.646924D+01  0.496003D+01  0.733017D+01 -0.115463D+01
      3  -0.453066D+01  0.866592D+01 -0.124045D+02  0.850926D+01  0.402751D+01
      4  -0.448543D+01  0.483554D+01  0.793451D+01 -0.155809D+02 -0.171731D+02
      5  -0.473024D+00  0.564107D+01 -0.750263D+01  0.586607D+01  0.505682D+01
      6   0.331506D+01 -0.260417D+01  0.708824D+01 -0.502173D+00  0.201316D+00
                21            22            23            24            25 
      1   0.283598D+01 -0.154832D+02 -0.267788D+01 -0.152927D+01  0.477786D+01
      2  -0.169878D+01  0.101355D+02 -0.592192D+01 -0.611787D+01 -0.291905D+01
      3  -0.113720D+01  0.534772D+01  0.859980D+01  0.764715D+01 -0.185881D+01
      4   0.480954D+01 -0.160747D+02 -0.686956D+01 -0.104811D+01  0.825660D+01
      5  -0.110634D+02  0.835742D+01 -0.547682D-01 -0.537484D+01 -0.212831D+01
      6  -0.240735D+01 -0.919910D+00  0.434477D+01 -0.597960D+01  0.976580D+00
                26            27            28            29            30 
      1  -0.151188D+01 -0.549511D+01  0.389361D+02  0.100242D+02 -0.404687D+01
      2   0.594633D+01 -0.431636D+00 -0.199382D+02 -0.314095D+00  0.508353D+01
      3  -0.443445D+01  0.592675D+01 -0.189979D+02 -0.971015D+01 -0.103667D+01
      4  -0.383494D+01 -0.219096D+01  0.256193D+02  0.242752D+02 -0.474476D+01
      5  -0.299690D+00 -0.450323D+00 -0.112664D+02 -0.508706D+01  0.165979D+02
      6   0.435544D+01  0.616046D+01 -0.939709D+00 -0.132907D+01  0.534254D+01
                31            32            33            34            35 
      1   0.134110D+02  0.241733D+01  0.782021D+00 -0.465560D+01  0.101698D+01
      2  -0.338361D+01  0.106669D+02  0.140247D+01  0.414443D+01 -0.432541D-01
      3  -0.100274D+02 -0.130842D+02 -0.218449D+01  0.511177D+00 -0.973722D+00
      4   0.267450D+02  0.272195D+02 -0.439793D+01 -0.385576D+01 -0.300440D+01
      5  -0.446841D+01 -0.521245D+01  0.933636D+01  0.164200D+02  0.822113D+01
      6  -0.232730D+01 -0.238208D+01  0.882030D+01  0.439573D+01  0.718132D+01
                36            37            38            39            40 
      1   0.323942D+01 -0.148769D+02 -0.407906D+01  0.765651D+01  0.137709D+01
      2  -0.675095D+01  0.928642D+01  0.550061D+01 -0.624946D+01  0.193202D+01
      3   0.351153D+01  0.559048D+01 -0.142154D+01 -0.140706D+01 -0.330911D+01
      4   0.878606D+01 -0.758640D+01  0.736488D+01 -0.625601D+00  0.111397D+02
      5  -0.939519D+01  0.504090D+01 -0.229512D+01  0.578445D+01 -0.171341D+01
      6  -0.384997D+01  0.206426D+01 -0.283014D+01  0.142785D+01 -0.818898D+00
                41            42            43            44            45 
      1  -0.429312D+01  0.319517D+01  0.704795D+01  0.274626D+01  0.331271D+01
      2   0.142697D+02 -0.225187D+01 -0.695676D+01 -0.156038D+01 -0.625631D+01
      3  -0.997660D+01 -0.943294D+00 -0.911895D-01 -0.118588D+01  0.294360D+01
      4   0.940764D+01 -0.312282D+01 -0.108871D+01 -0.815856D+01 -0.510066D+01
      5  -0.344685D+01 -0.478961D+01  0.429823D+01 -0.638385D+01 -0.495433D+01
      6  -0.836076D+01  0.676994D+00 -0.147366D+01 -0.502532D+01 -0.112566D+02
                46            47            48            49            50 
      1   0.137718D+02  0.555940D-01 -0.298714D+00  0.414181D+01 -0.566609D+01
      2  -0.744506D+01 -0.446825D+01 -0.253102D+01 -0.672724D+01  0.138654D+02
      3  -0.632670D+01  0.441266D+01  0.282973D+01  0.258543D+01 -0.819935D+01
      4  -0.170982D+02  0.157489D+02 -0.554711D+01  0.109262D+02 -0.151337D+02
      5   0.517687D+01 -0.399757D+01  0.109107D+02 -0.236444D+01  0.420114D+01
      6  -0.333361D+01  0.271156D+01 -0.513198D+01  0.147943D+01 -0.446009D+01
                51            52            53            54            55 
      1   0.307062D+01 -0.185041D+01  0.348618D+01 -0.457364D+01 -0.765369D-01
      2   0.384637D+00  0.157943D+00 -0.244457D+01 -0.477954D+01 -0.229698D+01
      3  -0.345526D+01  0.169247D+01 -0.104161D+01  0.935318D+01  0.237352D+01
      4   0.290741D+01 -0.337132D+01  0.429236D+01 -0.690296D+01 -0.769633D+00
      5  -0.266041D+01  0.932752D+01 -0.579359D+01  0.940633D+01  0.157714D+01
      6   0.103295D+02 -0.344057D+01  0.847997D+01 -0.729286D+01 -0.201833D+01
                56            57            58            59            60 
      1  -0.661332D+00  0.191010D+01  0.879180D+00 -0.559675D+01  0.491806D+01
      2   0.562531D+00 -0.969776D+00 -0.292963D+00  0.156903D+01  0.352624D+00
      3   0.988016D-01 -0.940323D+00 -0.586217D+00  0.402772D+01 -0.527068D+01
      4   0.296188D+01 -0.118349D+01  0.356321D+01 -0.326385D+01  0.222480D+01
      5  -0.134785D+01  0.607983D+01 -0.774557D+00  0.212819D+01 -0.302092D+01
      6  -0.444676D+00  0.209433D+00  0.444130D+00 -0.593585D+01  0.961986D+01
                61            62            63            64            65 
      1  -0.679657D-01  0.492204D+01 -0.166697D+02  0.418731D+02 -0.775136D+01
      2  -0.801733D+00  0.211491D+01 -0.132358D+02 -0.157666D+02 -0.117201D+01
      3   0.869699D+00 -0.703695D+01  0.299056D+02 -0.261065D+02  0.892337D+01
      4  -0.890646D+00  0.345580D+01 -0.354823D+01 -0.295113D+02  0.161317D+02
      5   0.500633D+01 -0.266841D+01  0.106298D+02 -0.118376D+01  0.665564D+00
      6  -0.134566D+01  0.792796D+01 -0.124710D+02 -0.185404D+01 -0.326605D+00
                66            67            68            69            70 
      1   0.400748D+01 -0.391600D+01  0.262369D+01 -0.142527D+00  0.762947D+01
      2  -0.738660D+00 -0.157761D+01  0.361769D+01 -0.288235D+00 -0.257931D+01
      3  -0.326882D+01  0.549361D+01 -0.624138D+01  0.430762D+00 -0.505016D+01
      4  -0.214001D+01  0.115559D+02 -0.781632D+01  0.162876D+01 -0.568011D+01
      5   0.752482D+01  0.158600D+00  0.795660D+00 -0.525588D+00  0.670300D+01
      6  -0.454118D+01  0.504537D+00 -0.105029D+00  0.151218D+01 -0.353355D+01
                71            72            73            74            75 
      1  -0.280589D+00  0.365902D+01  0.282957D+01 -0.156984D+01 -0.243892D+01
      2  -0.142423D+01 -0.365046D+01 -0.317061D+01  0.140494D+01  0.159541D+01
      3   0.170482D+01 -0.855433D-02  0.341037D+00  0.164902D+00  0.843506D+00
      4   0.433394D+01 -0.295165D+01 -0.209031D+01  0.838053D+00  0.643504D+00
      5  -0.116648D+01  0.217753D+01 -0.193700D+01 -0.572227D+00  0.479676D+01
      6   0.167473D+01 -0.128200D+01  0.537481D+00  0.760124D+00  0.871186D-02
                76            77            78            79            80 
      1   0.325729D-01 -0.244278D+01  0.614974D+00 -0.301972D+01 -0.144211D+01
      2   0.449181D-01 -0.712786D-01  0.494187D+01  0.320261D+01  0.460585D+01
      3  -0.774910D-01  0.251406D+01 -0.555685D+01 -0.182896D+00 -0.316374D+01
      4   0.908158D-01  0.244278D+01 -0.205631D+01  0.232702D+01 -0.423016D+01
      5  -0.230826D+01 -0.168131D+01  0.455541D+01  0.708804D+01  0.890138D+00
      6   0.189665D+00 -0.105422D+01  0.209208D+01 -0.104920D+01  0.448219D+01
                81            82            83            84            85 
      1  -0.117659D+02 -0.230614D+01 -0.985161D+01 -0.702913D+00 -0.837888D+01
      2  -0.174317D+02  0.564417D+01  0.139373D+02  0.179102D+00  0.939315D+01
      3   0.291976D+02 -0.333803D+01 -0.408570D+01  0.523811D+00 -0.101426D+01
      4   0.152432D+01  0.252609D+01  0.219826D+01 -0.756598D+00  0.519106D+01
      5  -0.193231D+02  0.180948D+01  0.111349D+01 -0.377147D+00  0.195396D+01
      6   0.127007D+02  0.243375D+00  0.259664D+01  0.333057D+01  0.152836D+01
                86            87            88            89            90 
      1  -0.229253D+02 -0.138173D+01  0.542749D+00  0.200673D-01 -0.378861D+01
      2   0.373672D+02  0.583315D+00 -0.139684D+00 -0.118852D+01  0.218076D+01
      3  -0.144419D+02  0.798417D+00 -0.403064D+00  0.116845D+01  0.160785D+01
      4  -0.606340D+01  0.404607D-01 -0.145262D+01  0.918917D+00  0.598565D+00
      5   0.192008D+01 -0.136824D+01  0.838343D+00 -0.306783D+00 -0.102608D+01
      6   0.528612D+01  0.630535D+01  0.205925D+01  0.567573D+01  0.560190D+00
                91            92            93            94            95 
      1   0.376021D+02  0.362525D+01 -0.558744D+01 -0.812951D+00  0.155755D+01
      2  -0.193137D+02  0.125536D+00  0.259221D+01  0.155127D+01  0.290970D+00
      3  -0.182884D+02 -0.375079D+01  0.299523D+01 -0.738321D+00 -0.184852D+01
      4   0.170969D+02  0.871146D+01 -0.151824D+01  0.478171D+01  0.876014D+00
      5  -0.243558D+01  0.404638D+00  0.636275D+01  0.154123D+01 -0.642586D+00
      6  -0.219285D+01  0.658521D+00  0.323384D+01  0.605001D+00 -0.911573D-01
                96            97            98            99           100 
      1   0.139219D+01 -0.992246D+01  0.796876D-01  0.268239D+01  0.138461D+01
      2  -0.993712D+00  0.638818D+01 -0.683379D+00 -0.227858D+01 -0.591525D+00
      3  -0.398479D+00  0.353427D+01  0.603691D+00 -0.403813D+00 -0.793085D+00
      4  -0.254832D+00 -0.433917D+01 -0.976155D+00  0.139334D+01  0.313164D+01
      5  -0.207454D+00  0.439876D+01  0.941060D+00 -0.241115D+01  0.187405D+01
      6   0.125049D+01  0.112321D+01  0.187528D+01 -0.109610D+01  0.215065D+01
               101           102           103           104           105 
      1   0.145800D+01  0.140607D+01  0.204218D+01 -0.686323D+01 -0.427543D+01
      2  -0.770207D-01 -0.468224D-01 -0.711116D+00  0.813389D+01  0.379491D+01
      3  -0.138098D+01 -0.135925D+01 -0.133106D+01 -0.127066D+01  0.480523D+00
      4   0.423553D+01  0.302909D+01  0.569010D+01  0.960388D+01  0.633778D+01
      5   0.264545D+01  0.268661D+01  0.360934D+01  0.673120D+01  0.896995D+01
      6   0.856562D+00  0.181624D+00  0.358064D+01  0.117571D+02  0.128282D+02
               106           107           108           109           110 
      1   0.228171D+01 -0.693078D+01 -0.913873D+01 -0.683484D+01 -0.318782D+01
      2  -0.117263D+01  0.453256D+01  0.146355D+01  0.517390D+01  0.280321D+01
      3  -0.110908D+01  0.239823D+01  0.767517D+01  0.166094D+01  0.384604D+00
      4   0.497425D+01  0.953543D+01  0.811272D+01  0.798071D+01 -0.331003D+01
      5   0.525390D+01  0.963463D+01  0.121209D+02 -0.146476D+01  0.941192D+00
      6   0.326254D+01  0.146146D+02  0.166791D+02  0.216926D+01 -0.233258D+01
               111           112           113           114           115 
      1   0.174637D+01 -0.301262D+01 -0.817650D+01  0.260727D+01  0.257544D+00
      2   0.177306D+00  0.195952D+01  0.109933D+02 -0.244862D+01 -0.242088D+00
      3  -0.192368D+01  0.105311D+01 -0.281681D+01 -0.158648D+00 -0.154563D-01
      4   0.238849D+01  0.396506D+01 -0.236447D+01  0.991383D+00  0.228790D+00
      5  -0.401762D+01 -0.522534D+00 -0.146130D+00 -0.577260D+00  0.699927D+00
      6   0.180049D+01  0.703160D-01 -0.438812D+01  0.382458D+01  0.658840D+00
               116           117 
      1   0.266524D+01 -0.329633D+01
      2  -0.213395D+01  0.132442D+01
      3  -0.531295D+00  0.197191D+01
      4  -0.123604D+01  0.369555D+00
      5  -0.196383D+00 -0.136622D+01
      6   0.362366D+01 -0.343739D+01
 Leave Link  716 at Mon Aug 16 21:26:18 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.600111D+02  0.220795D+01 -0.239062D+00
      2   0.220795D+01  0.582427D+02 -0.250813D+01
      3  -0.239062D+00 -0.250813D+01  0.476352D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.289259D+01 -0.202394D+01 -0.688883D+01
      2   0.232194D-01 -0.579703D+01 -0.171045D+02
      3  -0.430125D+00  0.119503D+02  0.279527D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.372719D+02  0.330570D+01 -0.385227D+01
      2   0.187709D+02  0.811181D+01  0.318693D+01
      3   0.185010D+02 -0.114175D+02  0.665333D+00
      4   0.212794D+02 -0.258491D+02 -0.180393D+02
      5  -0.149195D+01 -0.178491D+02 -0.332563D+02
      6  -0.107535D+02  0.440303D+01  0.780081D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.596449D+01 -0.214346D+01  0.152573D+01 -0.913286D+00 -0.309218D+01
      2  -0.214346D+01 -0.317328D+01 -0.835959D+00 -0.309218D+01 -0.251573D+01
      3   0.152573D+01 -0.835959D+00 -0.378116D+00 -0.104928D+01  0.960600D+00
                 6             7             8             9            10 
      1  -0.104928D+01  0.299480D+01 -0.130241D+01 -0.336219D+00 -0.343436D+01
      2   0.960600D+00 -0.130241D+01  0.143106D+01  0.212517D+01  0.536189D+00
      3   0.242913D+01 -0.336219D+00  0.212517D+01 -0.519152D+01 -0.882081D+00
                11            12            13            14            15 
      1   0.536189D+00 -0.882081D+00 -0.231359D+00  0.245181D+01  0.138371D+01
      2   0.253087D+01  0.689097D+00  0.245181D+01  0.906309D+00  0.418204D-01
      3   0.689097D+00  0.492546D+00  0.138371D+01  0.418204D-01 -0.266364D+01
                16            17            18            19            20 
      1  -0.222996D+01  0.874688D+00  0.353539D+00  0.357284D+00 -0.190294D+01
      2   0.874688D+00 -0.230335D+00 -0.331205D+01 -0.190294D+01 -0.245831D+01
      3   0.353539D+00 -0.331205D+01  0.518009D+01  0.163511D+01  0.104896D+01
                21            22            23            24            25 
      1   0.163511D+01 -0.369393D+01 -0.298216D+01  0.949839D+00  0.240547D+01
      2   0.104896D+01 -0.298216D+01 -0.163055D+01  0.813066D-01  0.122893D+01
      3  -0.285656D+00  0.949839D+00  0.813066D-01 -0.112399D+00 -0.357101D+00
                26            27            28            29            30 
      1   0.122893D+01 -0.357101D+00  0.863162D+01  0.402880D+01 -0.201878D+01
      2  -0.259305D+00  0.446960D+00  0.402880D+01  0.368591D+01 -0.102350D+01
      3   0.446960D+00 -0.612006D+00 -0.201878D+01 -0.102350D+01  0.183509D+01
                31            32            33            34            35 
      1   0.467978D+01  0.366969D+01 -0.634806D+00 -0.184627D+01 -0.526174D+00
      2   0.366969D+01  0.712604D+01 -0.124602D+01 -0.526174D+00 -0.856789D+00
      3  -0.634806D+00 -0.124602D+01  0.191149D+01  0.279497D+01  0.216876D+01
                36            37            38            39            40 
      1   0.279497D+01  0.462569D+01 -0.583583D+00 -0.644675D+00 -0.984403D+00
      2   0.216876D+01 -0.583583D+00 -0.891075D+00  0.433332D+00 -0.113920D+01
      3  -0.231279D+01 -0.644675D+00  0.433332D+00 -0.137115D+00  0.189765D+00
                41            42            43            44            45 
      1  -0.113920D+01  0.189765D+00 -0.652268D+00  0.734363D+00 -0.146494D+00
      2  -0.291291D+01  0.113971D+01  0.734363D+00  0.295634D+01  0.212220D+01
      3   0.113971D+01  0.203638D+01 -0.146494D+00  0.212220D+01  0.229688D+01
                46            47            48            49            50 
      1   0.618268D+01 -0.952781D+00  0.180118D+01  0.185719D+01  0.265180D+01
      2  -0.952781D+00  0.304640D+01 -0.946990D+00  0.265180D+01 -0.359691D+01
      3   0.180118D+01 -0.946990D+00  0.125405D+01 -0.140860D+00  0.725028D+00
                51            52            53            54            55 
      1  -0.140860D+00  0.351443D+00 -0.974873D+00  0.986717D+00  0.736364D-01
      2   0.725028D+00 -0.974873D+00  0.927414D+00 -0.176760D+01  0.332329D+00
      3  -0.667466D+00  0.986717D+00 -0.176760D+01  0.264676D+01 -0.965386D+00
                56            57            58            59            60 
      1   0.332329D+00 -0.965386D+00  0.609495D+00 -0.541598D+00 -0.114492D+00
      2  -0.511246D+00 -0.146743D+00 -0.541598D+00  0.169993D+01 -0.150647D+01
      3  -0.146743D+00 -0.369335D+00 -0.114492D+00 -0.150647D+01  0.211925D+01
                61            62            63            64            65 
      1  -0.126938D+01 -0.155833D+00 -0.316269D+00 -0.893150D+01  0.247361D+01
      2  -0.155833D+00 -0.219205D+01  0.201818D+01  0.247361D+01 -0.201191D+01
      3  -0.316269D+00  0.201818D+01 -0.780084D+01 -0.637694D+00  0.367278D-01
                66            67            68            69            70 
      1  -0.637694D+00  0.128481D+01 -0.121016D+01  0.241539D+00 -0.197351D+01
      2   0.367278D-01 -0.121016D+01  0.146745D+01 -0.297103D+00  0.552471D+00
      3  -0.143128D+01  0.241539D+00 -0.297103D+00  0.374925D-01 -0.108973D+01
                71            72            73            74            75 
      1   0.552471D+00 -0.108973D+01 -0.654603D+00  0.106613D+00  0.763822D+00
      2  -0.904385D+00  0.822101D-01  0.106613D+00  0.428807D+00  0.172335D+00
      3   0.822101D-01 -0.190821D+00  0.763822D+00  0.172335D+00  0.124311D+00
                76            77            78            79            80 
      1  -0.478398D+00  0.312211D+00  0.377965D+00  0.130616D+01 -0.656864D-01
      2   0.312211D+00 -0.571638D+00  0.752866D+00 -0.656864D-01  0.160038D+01
      3   0.377965D+00  0.752866D+00 -0.190021D+01 -0.716418D+00 -0.227868D+00
                81            82            83            84            85 
      1  -0.716418D+00  0.106680D+01  0.129810D+01 -0.137013D+00  0.179981D+01
      2  -0.227868D+00  0.129810D+01  0.290477D+01  0.425378D+00  0.152853D+01
      3   0.787326D+01 -0.137013D+00  0.425378D+00  0.834958D+00  0.789349D-01
                86            87            88            89            90 
      1   0.152853D+01  0.789349D-01 -0.383893D+00  0.252078D+00  0.325140D+00
      2   0.710977D+01  0.331783D+00  0.252078D+00 -0.364364D+00  0.729196D+00
      3   0.331783D+00  0.100132D+01  0.325140D+00  0.729196D+00  0.448326D+00
                91            92            93            94            95 
      1  -0.850090D+01 -0.139481D+01  0.986845D+00 -0.156706D+00 -0.574246D+00
      2  -0.139481D+01 -0.172669D+01 -0.163147D+00 -0.574246D+00 -0.183493D+00
      3   0.986845D+00 -0.163147D+00 -0.139370D+01 -0.314473D+00  0.151407D+00
                96            97            98            99           100 
      1  -0.314473D+00  0.257990D+01  0.407262D-02 -0.743907D+00 -0.434946D+00
      2   0.151407D+00  0.407262D-02  0.604269D+00 -0.307349D+00 -0.719674D+00
      3  -0.376341D-01 -0.743907D+00 -0.307349D+00  0.596512D+00 -0.512875D+00
               101           102           103           104           105 
      1  -0.719674D+00 -0.512875D+00 -0.113566D+01 -0.808248D+00 -0.725658D+00
      2  -0.238383D+00 -0.341330D+00 -0.808248D+00 -0.353737D+01 -0.208191D+01
      3  -0.341330D+00  0.189331D+00 -0.725658D+00 -0.208191D+01 -0.292859D+01
               106           107           108           109           110 
      1  -0.130610D+01 -0.811694D+00 -0.759819D+00 -0.494589D+01 -0.107839D+01
      2  -0.811694D+00 -0.360335D+01 -0.325348D+01 -0.107839D+01 -0.158587D+01
      3  -0.759819D+00 -0.325348D+01 -0.425392D+01 -0.914179D+00  0.651840D+00
               111           112           113           114           115 
      1  -0.914179D+00 -0.263734D+01 -0.266238D+00 -0.242176D+00  0.236281D-01
      2   0.651840D+00 -0.266238D+00 -0.336089D+01  0.946992D+00  0.190073D+00
      3  -0.735079D+00 -0.242176D+00  0.946992D+00 -0.122513D+01  0.558773D-02
               116           117 
      1   0.190073D+00  0.558773D-02
      2   0.891106D+00 -0.824332D+00
      3  -0.824332D+00  0.132007D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.374558D+01 -0.872874D+00  0.203368D-01  0.592697D+00 -0.463071D+01
      2  -0.519045D+01  0.332089D+01  0.219524D+01  0.322607D+01  0.438691D+00
      3   0.415754D+01 -0.978825D+01  0.942934D+00 -0.388838D+01 -0.100081D+02
                 6             7             8             9            10 
      1  -0.629102D+01 -0.246152D+00 -0.347496D+00  0.867482D+01  0.306038D+00
      2  -0.288019D+01 -0.246455D+01 -0.230136D+01  0.703645D+01 -0.400290D+01
      3  -0.576368D+00  0.154977D+01 -0.521082D-01  0.309177D+01 -0.241138D+01
                11            12            13            14            15 
      1  -0.801825D+00  0.165708D+01  0.755291D+00 -0.219584D+01  0.204244D+01
      2   0.173737D+01  0.277573D+01 -0.102797D+01  0.132559D+01  0.945401D+00
      3  -0.248932D+01 -0.215785D+01  0.240761D+01  0.432553D+01 -0.176998D+01
                16            17            18            19            20 
      1  -0.262270D+00  0.470593D+01 -0.588866D+00  0.211755D+01  0.306897D-01
      2  -0.502122D+01  0.210752D+01 -0.158425D+01  0.391540D+01 -0.310315D+01
      3  -0.992500D+00 -0.245396D+00 -0.160091D+01 -0.269762D+01  0.480082D+01
                21            22            23            24            25 
      1   0.215815D+01 -0.250603D+01  0.767783D+01  0.329087D+01 -0.286658D+01
      2  -0.613410D+01 -0.648714D+01  0.687512D+00 -0.297870D+01 -0.132410D+02
      3   0.128535D+01  0.718828D+01  0.488369D+01  0.113538D+01  0.508869D+01
                26            27            28            29            30 
      1   0.729650D+01 -0.761080D+01 -0.835895D+00 -0.195166D+01 -0.436894D+01
      2   0.108774D+01 -0.132409D+01  0.119106D+01  0.358038D-01  0.874054D+01
      3  -0.633048D-01  0.119951D+01  0.174522D+01 -0.107122D+02  0.107744D+01
                31            32            33            34            35 
      1   0.611336D+00 -0.298254D+01 -0.603984D+01  0.142553D+01  0.244518D+01
      2   0.374083D+01 -0.160377D+01  0.455517D+01  0.182157D+01  0.172152D+01
      3   0.199204D+01 -0.108902D+02  0.886027D+00 -0.147824D+01  0.122983D+01
                36            37            38            39            40 
      1   0.193833D+01 -0.178948D+01  0.207287D+01 -0.657116D+00  0.171275D+01
      2  -0.206415D+01  0.140176D+01 -0.126851D+01  0.313559D+01 -0.895649D+00
      3  -0.337714D+01 -0.103941D+02 -0.623448D+01  0.214324D+01  0.514680D+01
                41            42            43            44            45 
      1   0.495597D+01 -0.202916D+01  0.111017D+01  0.781384D+01  0.514975D+01
      2  -0.265035D+01 -0.248653D+01 -0.384795D+01 -0.353262D+01 -0.276016D+01
      3  -0.171224D+01  0.112984D+01  0.287553D+01  0.146476D+01  0.294770D+01
                46            47            48            49            50 
      1   0.286654D+01  0.258698D+01  0.332627D+01  0.296060D+01 -0.108206D+01
      2  -0.621207D+01 -0.223839D+01  0.488363D+01 -0.563482D+00  0.172004D+00
      3  -0.128931D+02 -0.956917D+01 -0.110525D+01 -0.399480D+01  0.822310D+00
                51            52            53            54            55 
      1  -0.407791D+01  0.238049D+01  0.144781D+01  0.347482D+01  0.126747D+00
      2  -0.827882D+00  0.107501D+01 -0.249937D+01  0.366034D+01  0.562972D+00
      3  -0.193273D+01 -0.248567D+01 -0.180559D+00  0.134784D+01  0.125526D+01
                56            57            58            59            60 
      1   0.215623D+00  0.187278D+00 -0.187835D+00 -0.738038D+00 -0.136885D+01
      2  -0.780883D-01  0.457667D+00  0.930418D+00  0.460109D+00 -0.119382D+01
      3  -0.111177D+01  0.659233D-01  0.137389D+01  0.400510D+00 -0.644646D+00
                61            62            63            64            65 
      1   0.651746D+00  0.257207D+01  0.318244D+01  0.135131D+01 -0.567826D+00
      2  -0.285617D+01 -0.140642D+01  0.377524D+01  0.458483D+01 -0.900066D+00
      3  -0.137929D+01 -0.136381D+01  0.502664D+00 -0.855312D+01 -0.282777D+01
                66            67            68            69            70 
      1   0.262515D+01 -0.749181D+00  0.797175D+00 -0.866845D+00  0.141961D+01
      2   0.519944D+01 -0.120008D+01  0.580191D+00 -0.423633D+00  0.106439D+01
      3  -0.123143D+01  0.155893D+01  0.785941D+00 -0.202019D+00 -0.129804D+01
                71            72            73            74            75 
      1   0.580889D+00  0.349526D+00 -0.107151D+01  0.360570D+00  0.134175D+00
      2   0.206849D-01  0.113860D+01 -0.700802D+00 -0.102281D+00  0.194339D+00
      3  -0.131968D+01 -0.146898D+01 -0.745436D+00 -0.153347D-01  0.101433D+01
                76            77            78            79            80 
      1   0.116461D+00 -0.233466D+01  0.195203D+01  0.630915D+00  0.436421D+01
      2   0.361802D+00 -0.118684D+01  0.238917D+01 -0.251405D+01  0.821896D+00
      3   0.645258D+00 -0.276120D+00  0.135256D+01  0.143795D+01  0.219056D+01
                81            82            83            84            85 
      1  -0.109053D+02  0.147561D+01  0.929739D+00 -0.202396D+01  0.868270D+00
      2  -0.101924D+02 -0.619182D+00 -0.103275D+01 -0.508450D-02 -0.113683D+01
      3  -0.145338D+01  0.533701D+01  0.464369D+01 -0.304178D+00  0.713048D+01
                86            87            88            89            90 
      1   0.333045D+01 -0.329967D+01 -0.700847D+00  0.134943D+00 -0.223971D+00
      2  -0.171360D+01 -0.743161D+00 -0.107940D+01 -0.688385D+00 -0.717754D+00
      3   0.114313D+02  0.501440D+00 -0.924107D+00  0.243933D+00  0.156429D+01
                91            92            93            94            95 
      1   0.283157D+01  0.196958D+00 -0.199372D+01 -0.386174D+00  0.627914D+00
      2  -0.212868D+01 -0.407596D+00  0.422702D+01  0.307383D+00 -0.579176D+00
      3   0.102905D+02 -0.303335D+01 -0.158605D+01 -0.159480D+00  0.121789D+01
                96            97            98            99           100 
      1  -0.169992D+00 -0.828016D+00 -0.121981D-01  0.740390D+00 -0.744984D-01
      2  -0.238201D+00  0.530024D+00  0.394132D+00 -0.145832D+01  0.277210D+00
      3   0.107158D+01 -0.428764D+01  0.179944D+01  0.269606D+00  0.590120D-01
               101           102           103           104           105 
      1  -0.143033D+00  0.330338D+00 -0.134841D+01 -0.200722D+01 -0.500873D+01
      2   0.336553D+00 -0.107923D+00  0.494074D+00  0.266468D+01  0.417455D+01
      3   0.930314D-02 -0.209073D+00  0.180423D+01 -0.357142D+01 -0.138310D+01
               106           107           108           109           110 
      1  -0.126352D+01 -0.242871D+01 -0.640648D+01 -0.355839D+01 -0.205621D+01
      2  -0.887084D+00  0.415743D+01  0.538991D+01  0.680143D+01  0.244626D+01
      3   0.133600D+01 -0.383030D+01 -0.331113D+01  0.137465D+02  0.720632D+01
               111           112           113           114           115 
      1  -0.139504D+01 -0.232036D+01 -0.164293D+00 -0.195069D+01 -0.347309D+00
      2  -0.174471D+01  0.225058D+01  0.140497D+01 -0.292167D+00 -0.258500D+01
      3   0.131879D+01  0.880061D+01  0.369494D+01  0.312513D+00  0.557539D+00
               116           117 
      1   0.548535D+00  0.971158D+00
      2  -0.986829D+00 -0.779894D+00
      3   0.126641D+00  0.288172D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.238037D+02  0.153935D+02 -0.356484D+01  0.142183D+02  0.102541D+02
      2   0.465936D+01 -0.144651D+02  0.581194D+00 -0.128456D+02 -0.140741D+02
      3   0.191443D+02 -0.928388D+00  0.298365D+01 -0.137266D+01  0.381994D+01
      4   0.194426D+02 -0.889255D+00  0.588936D+01  0.400427D+01 -0.427185D+01
      5  -0.306085D+01  0.122474D+01  0.243718D+01  0.179797D+01 -0.499975D+01
      6   0.415134D+01 -0.381676D+01 -0.810176D+00 -0.430990D+01  0.283911D+01
                 6             7             8             9            10 
      1  -0.211280D+01 -0.645264D+01 -0.902336D+00  0.263328D+01  0.735515D+01
      2  -0.157732D+01  0.137695D+00  0.419965D+00  0.131294D+02 -0.357876D+01
      3   0.369012D+01  0.631495D+01  0.482371D+00 -0.157627D+02 -0.377639D+01
      4  -0.412530D+01  0.937711D+01 -0.593171D+01 -0.802462D+01 -0.952508D+00
      5  -0.592547D+01  0.257838D+01 -0.630489D+01  0.118554D+02 -0.235246D+00
      6   0.715310D+01 -0.274061D+01  0.598132D+01 -0.501092D+01 -0.475648D+00
                11            12            13            14            15 
      1   0.236122D+01 -0.324156D+01 -0.597043D+01  0.296051D+01 -0.546645D+01
      2  -0.415496D+01  0.218513D+01  0.346572D+01 -0.304999D+01 -0.112636D+01
      3   0.179374D+01  0.105643D+01  0.250471D+01  0.894767D-01  0.659280D+01
      4  -0.285084D+01 -0.275232D+01 -0.115673D+02 -0.155872D+01  0.635653D+00
      5  -0.126019D+01 -0.877741D-01 -0.526692D+01  0.407575D+00  0.158807D+01
      6   0.329510D+01 -0.264438D+01 -0.265147D+00  0.420434D-01 -0.107978D+02
                16            17            18            19            20 
      1   0.359089D+01 -0.219668D+01  0.744447D+01 -0.158394D+02 -0.287288D+01
      2   0.939777D+00 -0.646924D+01  0.496003D+01  0.733017D+01 -0.115463D+01
      3  -0.453066D+01  0.866592D+01 -0.124045D+02  0.850926D+01  0.402751D+01
      4  -0.448543D+01  0.483554D+01  0.793451D+01 -0.155809D+02 -0.171731D+02
      5  -0.473024D+00  0.564107D+01 -0.750263D+01  0.586607D+01  0.505682D+01
      6   0.331506D+01 -0.260417D+01  0.708824D+01 -0.502173D+00  0.201316D+00
                21            22            23            24            25 
      1   0.283598D+01 -0.154832D+02 -0.267788D+01 -0.152927D+01  0.477786D+01
      2  -0.169878D+01  0.101355D+02 -0.592192D+01 -0.611787D+01 -0.291905D+01
      3  -0.113720D+01  0.534772D+01  0.859980D+01  0.764715D+01 -0.185881D+01
      4   0.480954D+01 -0.160747D+02 -0.686956D+01 -0.104811D+01  0.825660D+01
      5  -0.110634D+02  0.835742D+01 -0.547682D-01 -0.537484D+01 -0.212831D+01
      6  -0.240735D+01 -0.919910D+00  0.434477D+01 -0.597960D+01  0.976580D+00
                26            27            28            29            30 
      1  -0.151188D+01 -0.549511D+01  0.389361D+02  0.100242D+02 -0.404687D+01
      2   0.594633D+01 -0.431636D+00 -0.199382D+02 -0.314095D+00  0.508353D+01
      3  -0.443445D+01  0.592675D+01 -0.189979D+02 -0.971015D+01 -0.103667D+01
      4  -0.383494D+01 -0.219096D+01  0.256193D+02  0.242752D+02 -0.474476D+01
      5  -0.299690D+00 -0.450323D+00 -0.112664D+02 -0.508706D+01  0.165979D+02
      6   0.435544D+01  0.616046D+01 -0.939709D+00 -0.132907D+01  0.534254D+01
                31            32            33            34            35 
      1   0.134110D+02  0.241733D+01  0.782021D+00 -0.465560D+01  0.101698D+01
      2  -0.338361D+01  0.106669D+02  0.140247D+01  0.414443D+01 -0.432541D-01
      3  -0.100274D+02 -0.130842D+02 -0.218449D+01  0.511177D+00 -0.973722D+00
      4   0.267450D+02  0.272195D+02 -0.439793D+01 -0.385576D+01 -0.300440D+01
      5  -0.446841D+01 -0.521245D+01  0.933636D+01  0.164200D+02  0.822113D+01
      6  -0.232730D+01 -0.238208D+01  0.882030D+01  0.439573D+01  0.718132D+01
                36            37            38            39            40 
      1   0.323942D+01 -0.148769D+02 -0.407906D+01  0.765651D+01  0.137709D+01
      2  -0.675095D+01  0.928642D+01  0.550061D+01 -0.624946D+01  0.193202D+01
      3   0.351153D+01  0.559048D+01 -0.142154D+01 -0.140706D+01 -0.330911D+01
      4   0.878606D+01 -0.758640D+01  0.736488D+01 -0.625601D+00  0.111397D+02
      5  -0.939519D+01  0.504090D+01 -0.229512D+01  0.578445D+01 -0.171341D+01
      6  -0.384997D+01  0.206426D+01 -0.283014D+01  0.142785D+01 -0.818898D+00
                41            42            43            44            45 
      1  -0.429312D+01  0.319517D+01  0.704795D+01  0.274626D+01  0.331271D+01
      2   0.142697D+02 -0.225187D+01 -0.695676D+01 -0.156038D+01 -0.625631D+01
      3  -0.997660D+01 -0.943294D+00 -0.911895D-01 -0.118588D+01  0.294360D+01
      4   0.940764D+01 -0.312282D+01 -0.108871D+01 -0.815856D+01 -0.510066D+01
      5  -0.344685D+01 -0.478961D+01  0.429823D+01 -0.638385D+01 -0.495433D+01
      6  -0.836076D+01  0.676994D+00 -0.147366D+01 -0.502532D+01 -0.112566D+02
                46            47            48            49            50 
      1   0.137718D+02  0.555940D-01 -0.298714D+00  0.414181D+01 -0.566609D+01
      2  -0.744506D+01 -0.446825D+01 -0.253102D+01 -0.672724D+01  0.138654D+02
      3  -0.632670D+01  0.441266D+01  0.282973D+01  0.258543D+01 -0.819935D+01
      4  -0.170982D+02  0.157489D+02 -0.554711D+01  0.109262D+02 -0.151337D+02
      5   0.517687D+01 -0.399757D+01  0.109107D+02 -0.236444D+01  0.420114D+01
      6  -0.333361D+01  0.271156D+01 -0.513198D+01  0.147943D+01 -0.446009D+01
                51            52            53            54            55 
      1   0.307062D+01 -0.185041D+01  0.348618D+01 -0.457364D+01 -0.765369D-01
      2   0.384637D+00  0.157943D+00 -0.244457D+01 -0.477954D+01 -0.229698D+01
      3  -0.345526D+01  0.169247D+01 -0.104161D+01  0.935318D+01  0.237352D+01
      4   0.290741D+01 -0.337132D+01  0.429236D+01 -0.690296D+01 -0.769633D+00
      5  -0.266041D+01  0.932752D+01 -0.579359D+01  0.940633D+01  0.157714D+01
      6   0.103295D+02 -0.344057D+01  0.847997D+01 -0.729286D+01 -0.201833D+01
                56            57            58            59            60 
      1  -0.661332D+00  0.191010D+01  0.879180D+00 -0.559675D+01  0.491806D+01
      2   0.562531D+00 -0.969776D+00 -0.292963D+00  0.156903D+01  0.352624D+00
      3   0.988016D-01 -0.940323D+00 -0.586217D+00  0.402772D+01 -0.527068D+01
      4   0.296188D+01 -0.118349D+01  0.356321D+01 -0.326385D+01  0.222480D+01
      5  -0.134785D+01  0.607983D+01 -0.774557D+00  0.212819D+01 -0.302092D+01
      6  -0.444676D+00  0.209433D+00  0.444130D+00 -0.593585D+01  0.961986D+01
                61            62            63            64            65 
      1  -0.679657D-01  0.492204D+01 -0.166697D+02  0.418731D+02 -0.775136D+01
      2  -0.801733D+00  0.211491D+01 -0.132358D+02 -0.157666D+02 -0.117201D+01
      3   0.869699D+00 -0.703695D+01  0.299056D+02 -0.261065D+02  0.892337D+01
      4  -0.890646D+00  0.345580D+01 -0.354823D+01 -0.295113D+02  0.161317D+02
      5   0.500633D+01 -0.266841D+01  0.106298D+02 -0.118376D+01  0.665564D+00
      6  -0.134566D+01  0.792796D+01 -0.124710D+02 -0.185404D+01 -0.326605D+00
                66            67            68            69            70 
      1   0.400748D+01 -0.391600D+01  0.262369D+01 -0.142527D+00  0.762947D+01
      2  -0.738660D+00 -0.157761D+01  0.361769D+01 -0.288235D+00 -0.257931D+01
      3  -0.326882D+01  0.549361D+01 -0.624138D+01  0.430762D+00 -0.505016D+01
      4  -0.214001D+01  0.115559D+02 -0.781632D+01  0.162876D+01 -0.568011D+01
      5   0.752482D+01  0.158600D+00  0.795660D+00 -0.525588D+00  0.670300D+01
      6  -0.454118D+01  0.504537D+00 -0.105029D+00  0.151218D+01 -0.353355D+01
                71            72            73            74            75 
      1  -0.280589D+00  0.365902D+01  0.282957D+01 -0.156984D+01 -0.243892D+01
      2  -0.142423D+01 -0.365046D+01 -0.317061D+01  0.140494D+01  0.159541D+01
      3   0.170482D+01 -0.855433D-02  0.341037D+00  0.164902D+00  0.843506D+00
      4   0.433394D+01 -0.295165D+01 -0.209031D+01  0.838053D+00  0.643504D+00
      5  -0.116648D+01  0.217753D+01 -0.193700D+01 -0.572227D+00  0.479676D+01
      6   0.167473D+01 -0.128200D+01  0.537481D+00  0.760124D+00  0.871186D-02
                76            77            78            79            80 
      1   0.325729D-01 -0.244278D+01  0.614974D+00 -0.301972D+01 -0.144211D+01
      2   0.449181D-01 -0.712786D-01  0.494187D+01  0.320261D+01  0.460585D+01
      3  -0.774910D-01  0.251406D+01 -0.555685D+01 -0.182896D+00 -0.316374D+01
      4   0.908158D-01  0.244278D+01 -0.205631D+01  0.232702D+01 -0.423016D+01
      5  -0.230826D+01 -0.168131D+01  0.455541D+01  0.708804D+01  0.890138D+00
      6   0.189665D+00 -0.105422D+01  0.209208D+01 -0.104920D+01  0.448219D+01
                81            82            83            84            85 
      1  -0.117659D+02 -0.230614D+01 -0.985161D+01 -0.702913D+00 -0.837888D+01
      2  -0.174317D+02  0.564417D+01  0.139373D+02  0.179102D+00  0.939315D+01
      3   0.291976D+02 -0.333803D+01 -0.408570D+01  0.523811D+00 -0.101426D+01
      4   0.152432D+01  0.252609D+01  0.219826D+01 -0.756598D+00  0.519106D+01
      5  -0.193231D+02  0.180948D+01  0.111349D+01 -0.377147D+00  0.195396D+01
      6   0.127007D+02  0.243375D+00  0.259664D+01  0.333057D+01  0.152836D+01
                86            87            88            89            90 
      1  -0.229253D+02 -0.138173D+01  0.542749D+00  0.200673D-01 -0.378861D+01
      2   0.373672D+02  0.583315D+00 -0.139684D+00 -0.118852D+01  0.218076D+01
      3  -0.144419D+02  0.798417D+00 -0.403064D+00  0.116845D+01  0.160785D+01
      4  -0.606340D+01  0.404607D-01 -0.145262D+01  0.918917D+00  0.598565D+00
      5   0.192008D+01 -0.136824D+01  0.838343D+00 -0.306783D+00 -0.102608D+01
      6   0.528612D+01  0.630535D+01  0.205925D+01  0.567573D+01  0.560190D+00
                91            92            93            94            95 
      1   0.376021D+02  0.362525D+01 -0.558744D+01 -0.812951D+00  0.155755D+01
      2  -0.193137D+02  0.125536D+00  0.259221D+01  0.155127D+01  0.290970D+00
      3  -0.182884D+02 -0.375079D+01  0.299523D+01 -0.738321D+00 -0.184852D+01
      4   0.170969D+02  0.871146D+01 -0.151824D+01  0.478171D+01  0.876014D+00
      5  -0.243558D+01  0.404638D+00  0.636275D+01  0.154123D+01 -0.642586D+00
      6  -0.219285D+01  0.658521D+00  0.323384D+01  0.605001D+00 -0.911573D-01
                96            97            98            99           100 
      1   0.139219D+01 -0.992246D+01  0.796876D-01  0.268239D+01  0.138461D+01
      2  -0.993712D+00  0.638818D+01 -0.683379D+00 -0.227858D+01 -0.591525D+00
      3  -0.398479D+00  0.353427D+01  0.603691D+00 -0.403813D+00 -0.793085D+00
      4  -0.254832D+00 -0.433917D+01 -0.976155D+00  0.139334D+01  0.313164D+01
      5  -0.207454D+00  0.439876D+01  0.941060D+00 -0.241115D+01  0.187405D+01
      6   0.125049D+01  0.112321D+01  0.187528D+01 -0.109610D+01  0.215065D+01
               101           102           103           104           105 
      1   0.145800D+01  0.140607D+01  0.204218D+01 -0.686323D+01 -0.427543D+01
      2  -0.770207D-01 -0.468224D-01 -0.711116D+00  0.813389D+01  0.379491D+01
      3  -0.138098D+01 -0.135925D+01 -0.133106D+01 -0.127066D+01  0.480523D+00
      4   0.423553D+01  0.302909D+01  0.569010D+01  0.960388D+01  0.633778D+01
      5   0.264545D+01  0.268661D+01  0.360934D+01  0.673120D+01  0.896995D+01
      6   0.856562D+00  0.181624D+00  0.358064D+01  0.117571D+02  0.128282D+02
               106           107           108           109           110 
      1   0.228171D+01 -0.693078D+01 -0.913873D+01 -0.683484D+01 -0.318782D+01
      2  -0.117263D+01  0.453256D+01  0.146355D+01  0.517390D+01  0.280321D+01
      3  -0.110908D+01  0.239823D+01  0.767517D+01  0.166094D+01  0.384604D+00
      4   0.497425D+01  0.953543D+01  0.811272D+01  0.798071D+01 -0.331003D+01
      5   0.525390D+01  0.963463D+01  0.121209D+02 -0.146476D+01  0.941192D+00
      6   0.326254D+01  0.146146D+02  0.166791D+02  0.216926D+01 -0.233258D+01
               111           112           113           114           115 
      1   0.174637D+01 -0.301262D+01 -0.817650D+01  0.260727D+01  0.257544D+00
      2   0.177306D+00  0.195952D+01  0.109933D+02 -0.244862D+01 -0.242088D+00
      3  -0.192368D+01  0.105311D+01 -0.281681D+01 -0.158648D+00 -0.154563D-01
      4   0.238849D+01  0.396506D+01 -0.236447D+01  0.991383D+00  0.228790D+00
      5  -0.401762D+01 -0.522534D+00 -0.146130D+00 -0.577260D+00  0.699927D+00
      6   0.180049D+01  0.703160D-01 -0.438812D+01  0.382458D+01  0.658840D+00
               116           117 
      1   0.266524D+01 -0.329633D+01
      2  -0.213395D+01  0.132442D+01
      3  -0.531295D+00  0.197191D+01
      4  -0.123604D+01  0.369555D+00
      5  -0.196383D+00 -0.136622D+01
      6   0.362366D+01 -0.343739D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.212736D+01      0.540721D+01      0.180365D+02
   x         -0.204539D+01     -0.519886D+01     -0.173415D+02
   y         -0.532799D+00     -0.135424D+01     -0.451726D+01
   z         -0.241207D+00     -0.613088D+00     -0.204504D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508228D+02      0.753117D+01      0.837955D+01
   aniso      0.122820D+02      0.182000D+01      0.202502D+01
   xx         0.553894D+02      0.820786D+01      0.913248D+01
   yx         0.207467D+01      0.307434D+00      0.342067D+00
   yy         0.536254D+02      0.794646D+01      0.884163D+01
   zx        -0.370775D+00     -0.549432D-01     -0.611326D-01
   zy        -0.208194D+01     -0.308512D+00     -0.343266D+00
   zz         0.434537D+02      0.643917D+01      0.716455D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.552963D+02      0.819407D+01      0.911713D+01
   aniso      0.129643D+02      0.192112D+01      0.213753D+01
   xx         0.600111D+02      0.889273D+01      0.989450D+01
   yx         0.220795D+01      0.327185D+00      0.364042D+00
   yy         0.582427D+02      0.863068D+01      0.960292D+01
   zx        -0.239062D+00     -0.354253D-01     -0.394159D-01
   zy        -0.250813D+01     -0.371666D+00     -0.413534D+00
   zz         0.476352D+02      0.705881D+01      0.785398D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.79452114         -2.46004239          1.55593743
     6          0.50634895         -0.77050280          1.13414793
     6          0.42959403          0.24303526         -1.58861138
     8          0.87480461         -1.05583051         -3.39401842
     7          0.50627791          1.35027491          2.92599172
     8         -0.24153940          2.67602014         -1.76390328
     1          2.21607941         -1.92159272          1.27192067
     1         -1.69942173         -3.35526120          3.41214081
     1         -3.53367694         -1.35457945          1.44456726
     1         -1.86287010         -3.93023335          0.11966351
     1         -0.42693113          0.92198369          4.53810353
     1          2.27951136          1.89426448          3.39406366
     1         -0.43128308          3.25706455         -0.00786061

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.212736D+01      0.540721D+01      0.180365D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.212736D+01      0.540721D+01      0.180365D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508228D+02      0.753117D+01      0.837955D+01
   aniso      0.122820D+02      0.182000D+01      0.202502D+01
   xx         0.433761D+02      0.642768D+01      0.715176D+01
   yx         0.369938D+00      0.548191D-01      0.609945D-01
   yy         0.531669D+02      0.787853D+01      0.876605D+01
   zx        -0.194149D+01     -0.287699D+00     -0.320109D+00
   zy         0.169820D+01      0.251647D+00      0.279995D+00
   zz         0.559254D+02      0.828729D+01      0.922085D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.552963D+02      0.819407D+01      0.911713D+01
   aniso      0.129643D+02      0.192112D+01      0.213753D+01
   xx         0.473607D+02      0.701813D+01      0.780872D+01
   yx         0.620803D-01      0.919935D-02      0.102357D-01
   yy         0.579184D+02      0.858263D+01      0.954946D+01
   zx        -0.196152D+01     -0.290668D+00     -0.323412D+00
   zy         0.176955D+01      0.262221D+00      0.291760D+00
   zz         0.606099D+02      0.898146D+01      0.999322D+01

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-F16-39\Freq\RLC-PBEPBE\Gen\C3H7N1O2\PIERPA\16-Aug-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=03650000
 00,3/108=0365000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-
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 4,0.00000669,0.00000057,-0.00001105,0.00002500,-0.00000647,0.00001086,
 0.00002516,-0.00001585,0.00000543,0.00000034,-0.00000088,0.00000142,0.
 00000217,-0.00000110,0.00000157,-0.00000307,0.00000208,-0.00000070,-0.
 00000015,0.00000261,0.00000421,-0.00000379,-0.00000026,0.00000106,-0.0
 0000190,0.00000446,-0.00000733,0.00001112,-0.00000353\\\@


 The lyf so short, the craft so long to lerne.
                             -- Chaucer
 Job cpu time:       0 days  1 hours 26 minutes 15.2 seconds.
 Elapsed time:       0 days  0 hours 10 minutes 49.5 seconds.
 File lengths (MBytes):  RWF=    126 Int=      0 D2E=      0 Chk=      5 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:26:19 2021.
